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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 19:17:23 UTC

Update Date

2021-09-26 23:14:47 UTC

HMDB ID

HMDB0258095

Secondary Accession Numbers

None

Metabolite Identification

Common Name

[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Description

({[({[5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. Based on a literature review very few articles have been published on ({[({[5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-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)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-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)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-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


  Mrv1533005011518382D          

 30 32  0  0  0  0            999 V2000
    3.2789    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0098   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -2.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -3.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7403   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0728   -2.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808   -2.2689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483   -2.7538    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332   -2.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8634   -3.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0157   -3.2387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7694   -2.9032    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4338   -2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1050   -3.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5231   -2.5676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1905   -3.0525    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8579   -3.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6754   -2.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056   -3.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7403   -1.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 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
 13 15  1  0  0  0  0
 15 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
 15 30  1  0  0  0  0
 11 30  1  0  0  0  0
M  END

HMDB0258095
     RDKit          3D
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphory...
 46 48  0  0  0  0  0  0  0  0999 V2000
   -7.5569    2.5374   -0.2805 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6366    1.5654    0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0590    0.5731    0.9836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1879   -0.3741    1.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8927   -0.3153    1.0871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3985    0.6534    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3044    1.6012   -0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6102    2.4416   -0.9239 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3151    2.0268   -0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1753    0.9277   -0.2032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584    0.1916    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2280   -1.1401    0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -1.8875    0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220   -1.6055    1.3583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280   -1.2413   -0.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308   -0.9231   -0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164    0.0500   -0.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9729    0.3631   -0.2026 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3801    0.5146   -1.6678 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    1.8711    0.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8775   -0.8191    0.5652 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1386   -1.3886   -0.4048 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5452   -2.3524   -1.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2074   -2.2471    0.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8969   -0.1644   -1.2512 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0403    0.6503   -0.3222 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.6207    1.7529   -1.1770 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3170    1.2499    1.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3169   -0.3580    0.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3473   -0.1692   -1.1714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7296    3.4335    0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1143    2.4523   -1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4977   -1.1827    2.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648    2.5829   -1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2231    0.7428    0.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0477   -1.6891    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3697   -1.0384    1.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306   -2.9766    0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3017   -1.9796    2.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239   -1.9938   -1.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812   -0.7251   -2.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4783   -1.8613   -0.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266    1.9244    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5119   -3.0553    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0395    2.1912    0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7434   -0.8091   -0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  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
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
 15 30  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 31  1  0
  1 32  1  0
  4 33  1  0
  9 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
 20 43  1  0
 24 44  1  0
 28 45  1  0
 29 46  1  0
M  END


  Mrv1533005011518382D          

 30 32  0  0  0  0            999 V2000
    3.2789    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0098   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -2.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -3.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7403   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0728   -2.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808   -2.2689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483   -2.7538    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8332   -2.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8634   -3.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0157   -3.2387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7694   -2.9032    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4338   -2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1050   -3.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5231   -2.5676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1905   -3.0525    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8579   -3.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6754   -2.3851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056   -3.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7403   -1.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 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
 13 15  1  0  0  0  0
 15 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
 15 30  1  0  0  0  0
 11 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0258095

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=C2N=CN(C3CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)

> <INCHI_KEY>
SUYVUBYJARFZHO-UHFFFAOYSA-N

> <FORMULA>
C10H16N5O12P3

> <MOLECULAR_WEIGHT>
491.182

> <EXACT_MASS>
491.000831969

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
38.45013386059803

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
-0.66

> <JCHEM_LOGP>
-5.097662569996828

> <ALOGPS_LOGS>
-2.11

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.530044139963633

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8952485474135741

> <JCHEM_PKA_STRONGEST_BASIC>
5.007928741595976

> <JCHEM_POLAR_SURFACE_AREA>
258.8999999999999

> <JCHEM_REFRACTIVITY>
94.30359999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.83e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
deoxyadenosine triphosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0258095
     RDKit          3D
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphory...
 46 48  0  0  0  0  0  0  0  0999 V2000
   -7.5569    2.5374   -0.2805 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6366    1.5654    0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0590    0.5731    0.9836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1879   -0.3741    1.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8927   -0.3153    1.0871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3985    0.6534    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3044    1.6012   -0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6102    2.4416   -0.9239 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3151    2.0268   -0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1753    0.9277   -0.2032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584    0.1916    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2280   -1.1401    0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -1.8875    0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220   -1.6055    1.3583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280   -1.2413   -0.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308   -0.9231   -0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164    0.0500   -0.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9729    0.3631   -0.2026 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3801    0.5146   -1.6678 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    1.8711    0.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8775   -0.8191    0.5652 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1386   -1.3886   -0.4048 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5452   -2.3524   -1.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2074   -2.2471    0.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8969   -0.1644   -1.2512 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0403    0.6503   -0.3222 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.6207    1.7529   -1.1770 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3170    1.2499    1.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3169   -0.3580    0.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3473   -0.1692   -1.1714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7296    3.4335    0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1143    2.4523   -1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4977   -1.1827    2.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648    2.5829   -1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2231    0.7428    0.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0477   -1.6891    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3697   -1.0384    1.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306   -2.9766    0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3017   -1.9796    2.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239   -1.9938   -1.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812   -0.7251   -2.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4783   -1.8613   -0.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266    1.9244    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5119   -3.0553    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0395    2.1912    0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7434   -0.8091   -0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  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
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
 15 30  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 31  1  0
  1 32  1  0
  4 33  1  0
  9 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
 20 43  1  0
 24 44  1  0
 28 45  1  0
 29 46  1  0
M  END

HEADER    PROTEIN                                 01-MAY-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-MAY-15         0                                  
HETATM    1  N   UNK     0       6.121   3.850   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       6.121   2.310   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       7.454   1.540   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       7.454   0.000   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       6.121  -0.770   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       3.322   2.016   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       2.417   0.770   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       3.322  -0.476   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       2.846  -1.941   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.752  -3.186   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.846  -4.432   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.322  -5.897   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.382  -3.956   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.136  -4.862   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.271  -4.235   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0      -2.517  -5.140   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0      -3.422  -3.895   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -1.612  -6.386   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -3.763  -6.046   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0      -5.170  -5.419   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      -4.543  -4.012   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -5.796  -6.826   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -6.576  -4.793   0.000  0.00  0.00           O+0
HETATM   26  P   UNK     0      -7.822  -5.698   0.000  0.00  0.00           P+0
HETATM   27  O   UNK     0      -9.068  -6.603   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -8.727  -4.452   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -6.917  -6.944   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       1.382  -2.416   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    6   11                                                  
CONECT   11   10   12   30                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   30                                                  
CONECT   16   15   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   15   11                                                       
MASTER        0    0    0    0    0    0    0    0   30    0   64    0
END

COMPND    HMDB0258095
HETATM    1  N1  UNL     1      -7.557   2.537  -0.281  1.00  0.00           N  
HETATM    2  C1  UNL     1      -6.637   1.565   0.182  1.00  0.00           C  
HETATM    3  N2  UNL     1      -7.059   0.573   0.984  1.00  0.00           N  
HETATM    4  C2  UNL     1      -6.188  -0.374   1.441  1.00  0.00           C  
HETATM    5  N3  UNL     1      -4.893  -0.315   1.087  1.00  0.00           N  
HETATM    6  C3  UNL     1      -4.399   0.653   0.285  1.00  0.00           C  
HETATM    7  C4  UNL     1      -5.304   1.601  -0.164  1.00  0.00           C  
HETATM    8  N4  UNL     1      -4.610   2.442  -0.924  1.00  0.00           N  
HETATM    9  C5  UNL     1      -3.315   2.027  -0.944  1.00  0.00           C  
HETATM   10  N5  UNL     1      -3.175   0.928  -0.203  1.00  0.00           N  
HETATM   11  C6  UNL     1      -1.958   0.192   0.022  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.228  -1.140   0.689  1.00  0.00           C  
HETATM   13  C8  UNL     1      -0.945  -1.888   0.357  1.00  0.00           C  
HETATM   14  O1  UNL     1      -0.022  -1.606   1.358  1.00  0.00           O  
HETATM   15  C9  UNL     1      -0.528  -1.241  -0.921  1.00  0.00           C  
HETATM   16  C10 UNL     1       0.931  -0.923  -0.989  1.00  0.00           C  
HETATM   17  O2  UNL     1       1.316   0.050  -0.075  1.00  0.00           O  
HETATM   18  P1  UNL     1       2.973   0.363  -0.203  1.00  0.00           P  
HETATM   19  O3  UNL     1       3.380   0.515  -1.668  1.00  0.00           O  
HETATM   20  O4  UNL     1       3.327   1.871   0.524  1.00  0.00           O  
HETATM   21  O5  UNL     1       3.877  -0.819   0.565  1.00  0.00           O  
HETATM   22  P2  UNL     1       5.139  -1.389  -0.405  1.00  0.00           P  
HETATM   23  O6  UNL     1       4.545  -2.352  -1.433  1.00  0.00           O  
HETATM   24  O7  UNL     1       6.207  -2.247   0.587  1.00  0.00           O  
HETATM   25  O8  UNL     1       5.897  -0.164  -1.251  1.00  0.00           O  
HETATM   26  P3  UNL     1       7.040   0.650  -0.322  1.00  0.00           P  
HETATM   27  O9  UNL     1       7.621   1.753  -1.177  1.00  0.00           O  
HETATM   28  O10 UNL     1       6.317   1.250   1.063  1.00  0.00           O  
HETATM   29  O11 UNL     1       8.317  -0.358   0.139  1.00  0.00           O  
HETATM   30  O12 UNL     1      -1.347  -0.169  -1.171  1.00  0.00           O  
HETATM   31  H1  UNL     1      -7.730   3.434   0.263  1.00  0.00           H  
HETATM   32  H2  UNL     1      -8.114   2.452  -1.156  1.00  0.00           H  
HETATM   33  H3  UNL     1      -6.498  -1.183   2.086  1.00  0.00           H  
HETATM   34  H4  UNL     1      -2.565   2.583  -1.517  1.00  0.00           H  
HETATM   35  H5  UNL     1      -1.223   0.743   0.652  1.00  0.00           H  
HETATM   36  H6  UNL     1      -3.048  -1.689   0.191  1.00  0.00           H  
HETATM   37  H7  UNL     1      -2.370  -1.038   1.782  1.00  0.00           H  
HETATM   38  H8  UNL     1      -1.131  -2.977   0.251  1.00  0.00           H  
HETATM   39  H9  UNL     1      -0.302  -1.980   2.233  1.00  0.00           H  
HETATM   40  H10 UNL     1      -0.724  -1.994  -1.742  1.00  0.00           H  
HETATM   41  H11 UNL     1       1.281  -0.725  -2.021  1.00  0.00           H  
HETATM   42  H12 UNL     1       1.478  -1.861  -0.677  1.00  0.00           H  
HETATM   43  H13 UNL     1       2.927   1.924   1.425  1.00  0.00           H  
HETATM   44  H14 UNL     1       6.512  -3.055   0.088  1.00  0.00           H  
HETATM   45  H15 UNL     1       6.039   2.191   0.872  1.00  0.00           H  
HETATM   46  H16 UNL     1       8.743  -0.809  -0.639  1.00  0.00           H  
CONECT    1    2   31   32
CONECT    2    3    3    7
CONECT    3    4
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   36   37
CONECT   13   14   15   38
CONECT   14   39
CONECT   15   16   30   40
CONECT   16   17   41   42
CONECT   17   18
CONECT   18   19   19   20   21
CONECT   20   43
CONECT   21   22
CONECT   22   23   23   24   25
CONECT   24   44
CONECT   25   26
CONECT   26   27   27   28   29
CONECT   28   45
CONECT   29   46
END

HMDB0258095
     RDKit          3D
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphory...
 46 48  0  0  0  0  0  0  0  0999 V2000
   -7.5569    2.5374   -0.2805 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6366    1.5654    0.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0590    0.5731    0.9836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1879   -0.3741    1.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8927   -0.3153    1.0871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3985    0.6534    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3044    1.6012   -0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6102    2.4416   -0.9239 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3151    2.0268   -0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1753    0.9277   -0.2032 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584    0.1916    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2280   -1.1401    0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -1.8875    0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220   -1.6055    1.3583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280   -1.2413   -0.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9308   -0.9231   -0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164    0.0500   -0.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9729    0.3631   -0.2026 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3801    0.5146   -1.6678 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    1.8711    0.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8775   -0.8191    0.5652 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1386   -1.3886   -0.4048 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.5452   -2.3524   -1.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2074   -2.2471    0.5869 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8969   -0.1644   -1.2512 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0403    0.6503   -0.3222 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.6207    1.7529   -1.1770 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3170    1.2499    1.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3169   -0.3580    0.1388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3473   -0.1692   -1.1714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7296    3.4335    0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1143    2.4523   -1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4977   -1.1827    2.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648    2.5829   -1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2231    0.7428    0.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0477   -1.6891    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3697   -1.0384    1.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1306   -2.9766    0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3017   -1.9796    2.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239   -1.9938   -1.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812   -0.7251   -2.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4783   -1.8613   -0.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266    1.9244    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5119   -3.0553    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0395    2.1912    0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7434   -0.8091   -0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  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
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
 15 30  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 31  1  0
  1 32  1  0
  4 33  1  0
  9 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
 20 43  1  0
 24 44  1  0
 28 45  1  0
 29 46  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
({[({[5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonate	Generator
2'-Deoxyadenosine 5'-triphosphoric acid disodium salt(dATP)	Generator

Chemical Formula

C₁₀H₁₆N₅O₁₂P₃

Average Molecular Weight

491.182

Monoisotopic Molecular Weight

491.000831969

IUPAC Name

({[({[5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Traditional Name

deoxyadenosine triphosphate

CAS Registry Number

Not Available

SMILES

NC1=C2N=CN(C3CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC=N1

InChI Identifier

InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)

InChI Key

SUYVUBYJARFZHO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine deoxyribonucleotides

Direct Parent

Purine 2'-deoxyribonucleoside triphosphates

Alternative Parents

Substituents

Purine 2'-deoxyribonucleoside triphosphate
6-aminopurine
Imidazopyrimidine
Purine
Aminopyrimidine
Monoalkyl phosphate
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Imidolactam
Alkyl phosphate
Azole
Imidazole
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
Azacycle
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Amine
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Alcohol
Hydrocarbon derivative
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	-0.66	ALOGPS
logP	-5.1	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	0.9	ChemAxon
pKa (Strongest Basic)	5.01	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	258.9 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	94.3 m³·mol⁻¹	ChemAxon
Polarizability	38.45 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]+	161.345	30932474
DeepCCS	[M-H]-	157.723	30932474
DeepCCS	[M-2H]-	193.816	30932474
DeepCCS	[M+Na]+	169.738	30932474
AllCCS	[M+H]+	197.1	32859911
AllCCS	[M+H-H2O]+	195.1	32859911
AllCCS	[M+NH4]+	198.8	32859911
AllCCS	[M+Na]+	199.3	32859911
AllCCS	[M-H]-	188.1	32859911
AllCCS	[M+Na-2H]-	188.3	32859911
AllCCS	[M+HCOO]-	188.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate	NC1=C2N=CN(C3CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC=N1	4755.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate	NC1=C2N=CN(C3CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC=N1	2849.9	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate	NC1=C2N=CN(C3CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC=N1	4229.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	3928.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	3718.3	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	6578.9	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O	3958.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O	3841.2	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O	6427.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3989.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3927.6	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	6482.8	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C	4015.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C	3966.6	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C	6669.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #2	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3940.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #2	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3732.0	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #2	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	6646.4	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #3	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3918.2	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #3	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3718.0	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #3	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	6600.8	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1	3956.6	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1	3751.7	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1	6707.2	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3968.1	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3877.7	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	6405.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C	3949.5	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C	3864.0	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C	6390.7	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	4006.8	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	3929.2	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	6446.9	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O	3959.0	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O	3878.4	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O	6435.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	4012.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	3945.7	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	6469.8	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3873.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3768.2	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	6154.8	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	3947.8	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	3987.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	5909.4	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3882.8	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3872.7	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	6017.5	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3925.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3973.2	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	5966.3	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O)O	3952.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O)O	4014.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O)O	6033.9	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O	3883.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O	3879.9	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O	6031.0	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	3924.8	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	3986.5	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	5948.4	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #16	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	3952.8	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #16	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	4034.3	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #16	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	6010.5	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3934.6	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3948.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	5986.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	3935.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	4011.0	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	6072.8	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3848.7	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3749.0	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	6155.2	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	3905.5	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	3810.2	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	6119.5	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3849.3	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3766.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	6180.5	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	3901.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	3825.3	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	6113.9	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3855.0	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3733.5	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	6181.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3883.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3807.8	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	6157.9	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	3898.1	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	3850.7	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	6247.8	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C	3877.8	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C	3898.6	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C	5994.9	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3822.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3774.5	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	5805.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3853.2	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3878.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	5759.9	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3840.1	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3879.0	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5665.3	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	3899.8	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	4013.9	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	5525.4	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3902.5	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	4053.8	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	5503.8	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3902.2	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3982.7	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	5572.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)O[Si](C)(C)C	3895.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)O[Si](C)(C)C	4028.8	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)O[Si](C)(C)C	5596.9	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3902.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3990.4	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	5547.3	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	3895.0	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	4049.9	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	5541.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	3901.5	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	4014.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	5610.4	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	3878.2	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	3867.3	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	5647.8	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3822.8	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3740.4	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5846.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3865.3	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3847.5	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	5723.2	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	3863.3	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	3880.8	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O	5717.3	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3819.8	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3751.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5838.2	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	3863.3	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	3866.4	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	5682.5	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3857.6	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3905.0	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	5662.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3865.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3831.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	5741.0	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=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	3821.7	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=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	3729.8	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=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	5487.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)O[Si](C)(C)C	3887.8	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)O[Si](C)(C)C	4030.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)O[Si](C)(C)C	5116.0	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3887.1	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3998.8	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5194.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	3890.6	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	4013.0	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)CC1O	5136.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	3862.5	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	3872.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	5255.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3852.0	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3900.4	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	5212.2	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3860.6	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3838.4	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	5327.2	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3848.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	3879.2	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C	5334.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3861.2	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3847.5	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	5279.2	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3844.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	3900.7	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C	5248.4	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3848.0	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3863.8	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5351.0	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	3906.6	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	3985.2	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	5113.0	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O	4372.1	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O	4062.4	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O	6610.9	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #10	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=C(N)N=CN=C32)CC1O	4388.1	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #10	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=C(N)N=CN=C32)CC1O	4163.0	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #10	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=C(N)N=CN=C32)CC1O	6522.7	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O1	4395.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O1	4277.3	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O1	6506.3	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C(C)(C)C	4411.0	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C(C)(C)C	4295.6	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)[Si](C)(C)C(C)(C)C	6522.5	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4379.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4073.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	6661.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4361.7	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4072.6	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	6622.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1	4378.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1	4135.2	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1	6618.7	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4391.0	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4208.0	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	6496.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C(C)(C)C	4376.0	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C(C)(C)C	4201.9	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C(C)(C)C	6479.4	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	4400.2	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	4270.3	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	6478.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #8	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=C(N)N=CN=C32)CC1O	4381.7	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #8	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=C(N)N=CN=C32)CC1O	4213.5	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #8	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=C(N)N=CN=C32)CC1O	6511.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O1	4413.5	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O1	4280.3	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O1	6479.5	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4441.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4210.2	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	6250.4	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	4496.5	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	4442.4	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	6040.7	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4458.0	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4293.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	6163.4	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	4484.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	4442.7	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	6105.2	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O)O	4460.5	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O)O	4468.5	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)CC1O)OP(=O)(O)OP(=O)(O)O	6086.3	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #14	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=C(N)N=CN=C32)CC1O	4453.7	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #14	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=C(N)N=CN=C32)CC1O	4299.5	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #14	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=C(N)N=CN=C32)CC1O	6151.7	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	4489.3	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	4454.9	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	6064.7	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)CC1O	4471.7	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)CC1O	4482.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)CC1O	6033.2	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	4495.4	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	4401.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(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)O1	6134.4	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)CC1O	4457.0	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)CC1O	4478.0	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)CC1O	6110.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4428.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4203.9	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C	6261.7	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	4458.2	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	4302.4	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	6206.2	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4420.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	4220.5	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C	6264.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O1	4461.6	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O1	4317.3	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O1	6179.3	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4434.9	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4176.7	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	6303.6	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O1	4443.6	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O1	4318.4	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O1	6232.1	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	4428.8	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	4344.4	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1CC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O	6210.4	Standard polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C(C)(C)C	4445.2	Semi standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C(C)(C)C	4336.1	Standard non polar	33892256
[[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)CC1O)O[Si](C)(C)C(C)(C)C	6103.1	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)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-002e-9843300000-a29beb789181351db41a	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-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)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-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)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-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)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-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)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-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)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-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)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-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)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate GC-MS (TBDMS_1_5) - 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

602

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

622

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)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (HMDB0258095)

MOL for HMDB0258095 ([[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

3D MOL for HMDB0258095 ([[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

3D SDF for HMDB0258095 ([[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

3D-SDF for HMDB0258095 ([[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

PDB for HMDB0258095 ([[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

3D PDB for HMDB0258095 ([[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

SMILES for HMDB0258095 ([[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

INCHI for HMDB0258095 ([[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

Structure for HMDB0258095 ([[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

3D Structure for HMDB0258095 ([[(2R,5R)-5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra