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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 18:43:28 UTC

Update Date

2021-09-26 23:14:13 UTC

HMDB ID

HMDB0257689

Secondary Accession Numbers

None

Metabolite Identification

Common Name

[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Description

({[({[3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety. Based on a literature review very few articles have been published on ({[({[3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). [[(2r,5r)-3,4-dihydroxy-5-(6-oxo-1h-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309112120432D          

 31 33  0  0  0  0            999 V2000
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2716   -1.6433    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -0.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867   -2.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391   -2.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6927   -1.7927    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3572   -1.0390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0283   -2.5464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4464   -1.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1138   -1.9421    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7813   -2.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5988   -1.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6289   -2.6095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 13 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END

HMDB0257689
     RDKit          3D
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxypho...
 46 48  0  0  0  0  0  0  0  0999 V2000
   -5.6641    3.4998   -0.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3973    2.3268    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0852    1.5764    1.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7338    0.2993    1.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6750   -0.2757    0.6801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9633    0.4230   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3067    1.7396   -0.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4221    2.1592   -1.3886 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5600    1.1816   -1.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840    0.0874   -0.9142 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463   -1.1360   -0.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.8784   -1.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0647   -1.7404   -0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6587   -1.0147    0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5097   -0.0420    0.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    0.7695    1.4169 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9788    0.2252    2.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8775    2.4140    1.3394 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9688    0.6527    1.2002 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3047   -0.0378   -0.3280 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6445   -1.3775   -0.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    1.0302   -1.4883 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9626   -0.1972   -0.5595 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7076    1.3093   -0.6636 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.7334    2.3635   -1.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0656    1.2693   -1.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216    1.7301    0.8923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9907   -2.7893    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1618   -3.7675   -0.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775   -1.9843    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3057   -1.2676    1.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8974    2.0060    1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3512   -0.2296    2.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7352    1.2734   -2.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869   -1.7890   -1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996   -2.1950   -1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007   -0.5001    1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2408   -1.7600    1.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3068    2.5915    0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861    1.4985   -1.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6083    0.4749   -1.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1259    2.1184    0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6562   -3.1730    1.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9751   -4.2897   -0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150   -2.7071    0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7264   -1.8679    2.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 13 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  3 32  1  0
  4 33  1  0
  9 34  1  0
 11 35  1  0
 13 36  1  0
 14 37  1  0
 14 38  1  0
 18 39  1  0
 22 40  1  0
 26 41  1  0
 27 42  1  0
 28 43  1  0
 29 44  1  0
 30 45  1  0
 31 46  1  0
M  END


  Mrv1652309112120432D          

 31 33  0  0  0  0            999 V2000
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2716   -1.6433    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -0.9759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867   -2.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391   -2.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6927   -1.7927    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3572   -1.0390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0283   -2.5464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4464   -1.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1138   -1.9421    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7813   -2.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5988   -1.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6289   -2.6095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 13 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0257689

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC(C1O)N1C=NC2=C1N=CNC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)

> <INCHI_KEY>
HAEJPQIATWHALX-UHFFFAOYSA-N

> <FORMULA>
C10H15N4O14P3

> <MOLECULAR_WEIGHT>
508.165

> <EXACT_MASS>
507.979762173

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
38.21788051898652

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[3,4-dihydroxy-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-0.18

> <JCHEM_LOGP>
-3.9325421246698684

> <ALOGPS_LOGS>
-1.81

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.5355122230829177

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.0630621884547322

> <JCHEM_PKA_STRONGEST_BASIC>
0.41120345966666244

> <JCHEM_POLAR_SURFACE_AREA>
268.78999999999996

> <JCHEM_REFRACTIVITY>
93.95049999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.84e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
({[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0257689
     RDKit          3D
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxypho...
 46 48  0  0  0  0  0  0  0  0999 V2000
   -5.6641    3.4998   -0.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3973    2.3268    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0852    1.5764    1.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7338    0.2993    1.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6750   -0.2757    0.6801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9633    0.4230   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3067    1.7396   -0.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4221    2.1592   -1.3886 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5600    1.1816   -1.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840    0.0874   -0.9142 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463   -1.1360   -0.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.8784   -1.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0647   -1.7404   -0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6587   -1.0147    0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5097   -0.0420    0.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    0.7695    1.4169 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9788    0.2252    2.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8775    2.4140    1.3394 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9688    0.6527    1.2002 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3047   -0.0378   -0.3280 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6445   -1.3775   -0.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    1.0302   -1.4883 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9626   -0.1972   -0.5595 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7076    1.3093   -0.6636 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.7334    2.3635   -1.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0656    1.2693   -1.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216    1.7301    0.8923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9907   -2.7893    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1618   -3.7675   -0.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775   -1.9843    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3057   -1.2676    1.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8974    2.0060    1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3512   -0.2296    2.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7352    1.2734   -2.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869   -1.7890   -1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996   -2.1950   -1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007   -0.5001    1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2408   -1.7600    1.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3068    2.5915    0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861    1.4985   -1.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6083    0.4749   -1.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1259    2.1184    0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6562   -3.1730    1.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9751   -4.2897   -0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150   -2.7071    0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7264   -1.8679    2.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 13 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  3 32  1  0
  4 33  1  0
  9 34  1  0
 11 35  1  0
 13 36  1  0
 14 37  1  0
 14 38  1  0
 18 39  1  0
 22 40  1  0
 26 41  1  0
 27 42  1  0
 28 43  1  0
 29 44  1  0
 30 45  1  0
 31 46  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       3.864   2.073   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       2.530   1.303   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       1.197   2.073   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.197   3.613   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.530   4.383   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.530   5.923   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0       3.864   3.613   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      -0.268   4.089   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -1.173   2.843   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -0.268   1.597   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -0.744   0.132   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.161  -1.114   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.744  -2.359   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.208  -1.884   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.208  -0.344   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -3.454  -2.789   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.861  -2.162   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0      -6.107  -3.068   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0      -7.012  -1.822   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -5.202  -4.313   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -7.353  -3.973   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0      -8.760  -3.346   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      -8.133  -1.940   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -9.386  -4.753   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0     -10.167  -2.720   0.000  0.00  0.00           O+0
HETATM   26  P   UNK     0     -11.413  -3.625   0.000  0.00  0.00           P+0
HETATM   27  O   UNK     0     -12.658  -4.530   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0     -12.318  -2.379   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0     -10.507  -4.871   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -0.268  -3.824   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       1.701  -1.114   0.000  0.00  0.00           O+0
CONECT    1    2    7                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    1                                                       
CONECT    8    4    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    3   11                                                  
CONECT   11   10   12   15                                                  
CONECT   12   11   13   31                                                  
CONECT   13   12   14   30                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14   11                                                       
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22   26                                                       
CONECT   26   25   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26                                                            
CONECT   30   13                                                            
CONECT   31   12                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

COMPND    HMDB0257689
HETATM    1  O1  UNL     1      -5.664   3.500  -0.178  1.00  0.00           O  
HETATM    2  C1  UNL     1      -5.397   2.327   0.121  1.00  0.00           C  
HETATM    3  N1  UNL     1      -6.085   1.576   1.001  1.00  0.00           N  
HETATM    4  C2  UNL     1      -5.734   0.299   1.277  1.00  0.00           C  
HETATM    5  N2  UNL     1      -4.675  -0.276   0.680  1.00  0.00           N  
HETATM    6  C3  UNL     1      -3.963   0.423  -0.196  1.00  0.00           C  
HETATM    7  C4  UNL     1      -4.307   1.740  -0.496  1.00  0.00           C  
HETATM    8  N3  UNL     1      -3.422   2.159  -1.389  1.00  0.00           N  
HETATM    9  C5  UNL     1      -2.560   1.182  -1.652  1.00  0.00           C  
HETATM   10  N4  UNL     1      -2.884   0.087  -0.914  1.00  0.00           N  
HETATM   11  C6  UNL     1      -2.146  -1.136  -0.971  1.00  0.00           C  
HETATM   12  O2  UNL     1      -0.818  -0.878  -1.166  1.00  0.00           O  
HETATM   13  C7  UNL     1      -0.065  -1.740  -0.415  1.00  0.00           C  
HETATM   14  C8  UNL     1       0.659  -1.015   0.706  1.00  0.00           C  
HETATM   15  O3  UNL     1       1.510  -0.042   0.180  1.00  0.00           O  
HETATM   16  P1  UNL     1       2.318   0.770   1.417  1.00  0.00           P  
HETATM   17  O4  UNL     1       1.979   0.225   2.781  1.00  0.00           O  
HETATM   18  O5  UNL     1       1.877   2.414   1.339  1.00  0.00           O  
HETATM   19  O6  UNL     1       3.969   0.653   1.200  1.00  0.00           O  
HETATM   20  P2  UNL     1       4.305  -0.038  -0.328  1.00  0.00           P  
HETATM   21  O7  UNL     1       3.644  -1.378  -0.396  1.00  0.00           O  
HETATM   22  O8  UNL     1       3.682   1.030  -1.488  1.00  0.00           O  
HETATM   23  O9  UNL     1       5.963  -0.197  -0.560  1.00  0.00           O  
HETATM   24  P3  UNL     1       6.708   1.309  -0.664  1.00  0.00           P  
HETATM   25  O10 UNL     1       5.733   2.363  -1.159  1.00  0.00           O  
HETATM   26  O11 UNL     1       8.066   1.269  -1.681  1.00  0.00           O  
HETATM   27  O12 UNL     1       7.222   1.730   0.892  1.00  0.00           O  
HETATM   28  C9  UNL     1      -0.991  -2.789   0.161  1.00  0.00           C  
HETATM   29  O13 UNL     1      -1.162  -3.768  -0.799  1.00  0.00           O  
HETATM   30  C10 UNL     1      -2.277  -1.984   0.268  1.00  0.00           C  
HETATM   31  O14 UNL     1      -2.306  -1.268   1.436  1.00  0.00           O  
HETATM   32  H1  UNL     1      -6.897   2.006   1.464  1.00  0.00           H  
HETATM   33  H2  UNL     1      -6.351  -0.230   2.003  1.00  0.00           H  
HETATM   34  H3  UNL     1      -1.735   1.273  -2.353  1.00  0.00           H  
HETATM   35  H4  UNL     1      -2.487  -1.789  -1.828  1.00  0.00           H  
HETATM   36  H5  UNL     1       0.700  -2.195  -1.092  1.00  0.00           H  
HETATM   37  H6  UNL     1      -0.101  -0.500   1.322  1.00  0.00           H  
HETATM   38  H7  UNL     1       1.241  -1.760   1.278  1.00  0.00           H  
HETATM   39  H8  UNL     1       1.307   2.592   0.567  1.00  0.00           H  
HETATM   40  H9  UNL     1       2.886   1.498  -1.101  1.00  0.00           H  
HETATM   41  H10 UNL     1       8.608   0.475  -1.489  1.00  0.00           H  
HETATM   42  H11 UNL     1       8.126   2.118   0.878  1.00  0.00           H  
HETATM   43  H12 UNL     1      -0.656  -3.173   1.136  1.00  0.00           H  
HETATM   44  H13 UNL     1      -1.975  -4.290  -0.717  1.00  0.00           H  
HETATM   45  H14 UNL     1      -3.115  -2.707   0.192  1.00  0.00           H  
HETATM   46  H15 UNL     1      -2.726  -1.868   2.132  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    7
CONECT    3    4   32
CONECT    4    5    5   33
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   34
CONECT   10   11
CONECT   11   12   30   35
CONECT   12   13
CONECT   13   14   28   36
CONECT   14   15   37   38
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   39
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   40
CONECT   23   24
CONECT   24   25   25   26   27
CONECT   26   41
CONECT   27   42
CONECT   28   29   30   43
CONECT   29   44
CONECT   30   31   45
CONECT   31   46
END

HMDB0257689
     RDKit          3D
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxypho...
 46 48  0  0  0  0  0  0  0  0999 V2000
   -5.6641    3.4998   -0.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3973    2.3268    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0852    1.5764    1.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7338    0.2993    1.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6750   -0.2757    0.6801 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9633    0.4230   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3067    1.7396   -0.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4221    2.1592   -1.3886 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5600    1.1816   -1.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840    0.0874   -0.9142 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463   -1.1360   -0.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -0.8784   -1.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0647   -1.7404   -0.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6587   -1.0147    0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5097   -0.0420    0.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    0.7695    1.4169 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9788    0.2252    2.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8775    2.4140    1.3394 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9688    0.6527    1.2002 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3047   -0.0378   -0.3280 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6445   -1.3775   -0.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    1.0302   -1.4883 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9626   -0.1972   -0.5595 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7076    1.3093   -0.6636 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.7334    2.3635   -1.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0656    1.2693   -1.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216    1.7301    0.8923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9907   -2.7893    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1618   -3.7675   -0.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775   -1.9843    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3057   -1.2676    1.4361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8974    2.0060    1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3512   -0.2296    2.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7352    1.2734   -2.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869   -1.7890   -1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996   -2.1950   -1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007   -0.5001    1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2408   -1.7600    1.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3068    2.5915    0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861    1.4985   -1.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6083    0.4749   -1.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1259    2.1184    0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6562   -3.1730    1.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9751   -4.2897   -0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150   -2.7071    0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7264   -1.8679    2.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 13 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  3 32  1  0
  4 33  1  0
  9 34  1  0
 11 35  1  0
 13 36  1  0
 14 37  1  0
 14 38  1  0
 18 39  1  0
 22 40  1  0
 26 41  1  0
 27 42  1  0
 28 43  1  0
 29 44  1  0
 30 45  1  0
 31 46  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
({[({[3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonate	Generator
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphoric acid	Generator

Chemical Formula

C₁₀H₁₅N₄O₁₄P₃

Average Molecular Weight

508.165

Monoisotopic Molecular Weight

507.979762173

IUPAC Name

({[({[3,4-dihydroxy-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Traditional Name

({[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

OC1C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC(C1O)N1C=NC2=C1N=CNC2=O

InChI Identifier

InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)

InChI Key

HAEJPQIATWHALX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside triphosphates

Alternative Parents

Substituents

Purine ribonucleoside triphosphate
Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-oxopurine
Hypoxanthine
Monosaccharide phosphate
Imidazopyrimidine
Purine
Pyrimidone
Monoalkyl phosphate
Alkyl phosphate
Pyrimidine
Phosphoric acid ester
Monosaccharide
Organic phosphoric acid derivative
N-substituted imidazole
Tetrahydrofuran
Vinylogous amide
Azole
Imidazole
Heteroaromatic compound
Secondary alcohol
1,2-diol
Organoheterocyclic compound
Azacycle
Oxacycle
Alcohol
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.18	ALOGPS
logP	-3.9	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	1.06	ChemAxon
pKa (Strongest Basic)	0.41	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	268.79 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	93.95 m³·mol⁻¹	ChemAxon
Polarizability	38.22 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	176.001	30932474
DeepCCS	[M-H]-	173.744	30932474
DeepCCS	[M-2H]-	207.838	30932474
DeepCCS	[M+Na]+	182.722	30932474
AllCCS	[M+H]+	198.2	32859911
AllCCS	[M+H-H2O]+	196.4	32859911
AllCCS	[M+NH4]+	199.9	32859911
AllCCS	[M+Na]+	200.4	32859911
AllCCS	[M-H]-	189.1	32859911
AllCCS	[M+Na-2H]-	189.3	32859911
AllCCS	[M+HCOO]-	189.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate	OC1C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC(C1O)N1C=NC2=C1N=CNC2=O	4792.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate	OC1C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC(C1O)N1C=NC2=C1N=CNC2=O	2553.8	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate	OC1C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC(C1O)N1C=NC2=C1N=CNC2=O	4470.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3796.9	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3914.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	5901.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	3822.0	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4027.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	5804.1	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	3898.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	4022.7	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	6109.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=C[NH]C2=O	3808.6	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=C[NH]C2=O	4061.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=C[NH]C2=O	5713.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #13	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	3812.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #13	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4050.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #13	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	5800.3	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #14	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	3908.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #14	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	4025.6	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #14	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	6081.3	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #15	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	3798.8	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #15	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4061.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #15	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	5761.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #16	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	3911.4	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #16	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	4026.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #16	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	6058.9	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #17	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	3815.9	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #17	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4028.0	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #17	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	5817.3	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #18	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	3892.0	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #18	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	4021.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #18	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	6121.8	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #19	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)O[Si](C)(C)C	3860.4	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #19	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)O[Si](C)(C)C	4232.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #19	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)O[Si](C)(C)C	5568.5	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3782.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3920.0	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	5865.0	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #20	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3959.8	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #20	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	4205.8	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #20	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	5859.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #21	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3887.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #21	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4195.8	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #21	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5607.9	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #22	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)O[Si](C)(C)C	3952.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #22	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)O[Si](C)(C)C	4190.4	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #22	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)O[Si](C)(C)C	5933.0	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #23	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O	3864.4	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #23	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O	4206.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #23	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O	5589.5	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #24	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O	3946.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #24	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O	4206.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #24	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O	5909.6	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #25	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O	3963.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #25	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O	4175.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #25	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O	5951.9	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3775.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3914.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	5951.1	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3896.4	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3896.4	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	6249.2	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	3822.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4059.8	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	5694.3	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	3820.9	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4047.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	5781.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	3916.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	4023.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	6063.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	3806.4	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4061.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	5748.1	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	3920.3	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	4029.7	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	6046.1	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3755.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3968.2	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	5370.6	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	3791.4	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4047.8	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	5340.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	3880.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	4041.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	5651.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	3780.4	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4060.0	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	5311.9	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	3880.3	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	4056.8	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	5606.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	3890.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	4025.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	5670.6	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	3767.8	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4097.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	5304.2	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	3891.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	4061.6	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	5577.6	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	3782.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4050.4	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	5359.0	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	3876.7	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	4042.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	5669.1	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	3773.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4059.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	5325.0	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3756.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3953.6	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	5480.1	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	3876.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	4055.4	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	5619.0	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	3886.3	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	4023.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	5682.5	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3831.7	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4224.4	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5127.5	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)O[Si](C)(C)C	3918.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)O[Si](C)(C)C	4213.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)O[Si](C)(C)C	5451.8	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3939.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4174.0	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5500.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O	3928.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O	4184.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O	5474.0	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3873.4	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3934.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	5750.6	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3747.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3970.6	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	5416.2	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3868.6	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3940.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	5700.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3755.0	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3934.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	5497.5	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3855.4	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3934.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	5794.0	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	3777.9	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4094.0	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	5285.2	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	3897.4	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	4060.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	5559.0	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3733.8	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3979.2	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	4981.2	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	3884.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	4025.2	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	5260.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	3880.6	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	4036.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	5209.6	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	3757.6	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4060.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4861.9	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	3867.3	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	4071.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	5202.3	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	3874.3	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	4028.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	5279.3	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	3873.6	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	4037.2	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O	5222.0	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3911.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4160.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5030.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3857.8	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3956.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	5268.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3737.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3932.2	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	5056.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3845.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3943.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	5391.6	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3735.3	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	3943.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C	5000.6	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3845.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3959.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	5306.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3852.8	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	3926.6	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C	5408.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	3765.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4057.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4842.1	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	3874.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	4068.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C)C3=O)C1O	5183.2	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C(C)(C)C	4339.3	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C(C)(C)C	4374.7	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C(C)(C)C	5997.5	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4373.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4467.2	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	5935.5	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O	4525.9	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O	4504.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O	6160.6	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=C[NH]C2=O	4358.2	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=C[NH]C2=O	4509.7	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=C[NH]C2=O	5822.2	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4361.9	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4512.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	5918.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O	4523.0	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O	4497.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O	6146.5	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4360.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4516.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	5850.9	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O	4519.4	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O	4490.4	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O	6093.0	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4368.0	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	4469.8	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=C[NH]C2=O	5947.8	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O	4522.0	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O	4504.0	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C1N=CN([Si](C)(C)C(C)(C)C)C2=O	6172.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4386.6	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4672.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)O[Si](C)(C)C(C)(C)C	5688.8	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C(C)(C)C	4331.0	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C(C)(C)C	4375.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C(C)(C)C	5935.8	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4539.8	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4648.1	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	5947.5	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4402.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4614.4	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5774.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4530.7	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4645.5	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O)O[Si](C)(C)C(C)(C)C	6033.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O	4393.0	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O	4618.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=C[NH]C3=O)C(O)C1O	5735.3	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O	4528.8	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O	4654.6	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O	5979.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O	4533.8	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O	4606.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O	6062.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C(C)(C)C	4339.7	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C(C)(C)C	4387.3	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O[Si](C)(C)C(C)(C)C	6030.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O[Si](C)(C)C(C)(C)C	4521.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O[Si](C)(C)C(C)(C)C	4375.2	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O[Si](C)(C)C(C)(C)C	6246.5	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4370.5	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4509.0	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	5802.8	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4370.1	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4506.9	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	5899.7	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O	4528.6	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O	4495.8	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O	6128.6	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4366.8	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	4518.2	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC3=C2N=C[NH]C3=O)C1O	5838.4	Standard polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O	4523.6	Semi standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O	4494.6	Standard non polar	33892256
[[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)OC(N2C=NC3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O	6080.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

790

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

135402038

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for [[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (HMDB0257689)

MOL for HMDB0257689 ([[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

3D MOL for HMDB0257689 ([[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

3D SDF for HMDB0257689 ([[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

3D-SDF for HMDB0257689 ([[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

PDB for HMDB0257689 ([[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

3D PDB for HMDB0257689 ([[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

SMILES for HMDB0257689 ([[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

INCHI for HMDB0257689 ([[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

Structure for HMDB0257689 ([[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

3D Structure for HMDB0257689 ([[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra