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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 18:55:16 UTC

Update Date

2021-09-26 23:14:24 UTC

HMDB ID

HMDB0257827

Secondary Accession Numbers

None

Metabolite Identification

Common Name

[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate

Description

[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate, also known as [({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]sulfonate, belongs to the class of organic compounds known as purine ribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to 3' and 5' hydroxyl groups of the ribose moiety. Based on a literature review very few articles have been published on [(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically [(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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


  Mrv1652309112120552D          

 31 33  0  0  0  0            999 V2000
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6904   -0.3379    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8699   -0.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5109   -0.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7767    0.4825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6955   -2.6617    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3086   -2.1097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824   -3.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476   -3.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9926   -4.0594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7377   -4.8441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7773   -4.3144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2080   -3.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END

HMDB0257827
     RDKit          3D
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3...
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.2221   -0.3335    0.1180 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1156    0.5438    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2318    1.8618    0.3561 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1391    2.6238    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9038    2.1468    0.0604 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233    0.8308   -0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    0.0374   -0.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4669   -1.2234   -0.4473 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299   -1.1999   -0.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6679    0.0663   -0.4882 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2851    0.5122   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5326   -0.4151   -1.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2360   -1.1065   -0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4442   -1.7508   -0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1391   -2.4093    0.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5226   -3.1798   -0.4904 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.3469   -4.6781   -0.6065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7515   -2.9194    0.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0639   -2.6088   -1.9838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883    0.0315    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193    0.8354   -0.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0110    1.1167    0.4606 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.0446    2.4885    1.0916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4404   -0.0747    1.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1794    1.0575   -0.7664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0924    2.4808   -0.7606 S   0  0  0  0  0  6  0  0  0  0  0  0
   -6.3795    2.2956   -1.5043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3937    2.8373    0.6698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2509    3.7445   -1.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    0.7021    0.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3235   -0.0518    1.7325 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4893   -0.8035    1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7790   -0.5236   -0.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2098    3.6826    0.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647   -2.0798   -0.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2651    1.5155   -1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378   -1.8649    0.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142   -2.4101   -1.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763   -0.9219   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4243   -3.3147    1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8164   -3.2051   -2.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1161   -0.3117    1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4365   -0.0171    1.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1362    4.5159   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676    1.7652    1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402   -0.2890    1.4794 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
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 13 20  1  0
 20 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  2  0
 26 29  1  0
 20 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
  9 35  1  0
 11 36  1  0
 13 37  1  0
 14 38  1  0
 14 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 24 43  1  0
 29 44  1  0
 30 45  1  0
 31 46  1  0
M  END


  Mrv1652309112120552D          

 31 33  0  0  0  0            999 V2000
    2.0701    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6904   -0.3379    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8699   -0.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5109   -0.4242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7767    0.4825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6955   -2.6617    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3086   -2.1097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824   -3.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476   -3.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9926   -4.0594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7377   -4.8441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7773   -4.3144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2080   -3.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0257827

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC=NC2=C1N=CN2C1OC(COP(O)(O)=O)C(OP(O)(=O)OS(O)(=O)=O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(4(26-10)1-25-29(17,18)19)27-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)

> <INCHI_KEY>
GCWYYXZQNSUOEN-UHFFFAOYSA-N

> <FORMULA>
C10H15N5O13P2S

> <MOLECULAR_WEIGHT>
507.26

> <EXACT_MASS>
506.986230733

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
39.67162836326787

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]sulfonic acid

> <ALOGPS_LOGP>
-0.67

> <JCHEM_LOGP>
-5.711170896329949

> <ALOGPS_LOGS>
-1.99

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.2027418384058715

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.7300040238157486

> <JCHEM_PKA_STRONGEST_BASIC>
3.9400618874707076

> <JCHEM_POLAR_SURFACE_AREA>
275.96999999999997

> <JCHEM_REFRACTIVITY>
94.93319999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.15e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{[5-(6-aminopurin-9-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy(hydroxy)phosphoryl}oxysulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0257827
     RDKit          3D
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3...
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.2221   -0.3335    0.1180 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1156    0.5438    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2318    1.8618    0.3561 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1391    2.6238    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9038    2.1468    0.0604 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233    0.8308   -0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    0.0374   -0.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4669   -1.2234   -0.4473 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299   -1.1999   -0.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6679    0.0663   -0.4882 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2851    0.5122   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5326   -0.4151   -1.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2360   -1.1065   -0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4442   -1.7508   -0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1391   -2.4093    0.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5226   -3.1798   -0.4904 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.3469   -4.6781   -0.6065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7515   -2.9194    0.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0639   -2.6088   -1.9838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883    0.0315    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193    0.8354   -0.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0110    1.1167    0.4606 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.0446    2.4885    1.0916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4404   -0.0747    1.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1794    1.0575   -0.7664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0924    2.4808   -0.7606 S   0  0  0  0  0  6  0  0  0  0  0  0
   -6.3795    2.2956   -1.5043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3937    2.8373    0.6698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2509    3.7445   -1.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    0.7021    0.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3235   -0.0518    1.7325 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4893   -0.8035    1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7790   -0.5236   -0.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2098    3.6826    0.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647   -2.0798   -0.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2651    1.5155   -1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378   -1.8649    0.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142   -2.4101   -1.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763   -0.9219   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4243   -3.3147    1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8164   -3.2051   -2.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1161   -0.3117    1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4365   -0.0171    1.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1362    4.5159   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676    1.7652    1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402   -0.2890    1.4794 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
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 13 20  1  0
 20 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  2  0
 26 29  1  0
 20 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
  9 35  1  0
 11 36  1  0
 13 37  1  0
 14 38  1  0
 14 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 24 43  1  0
 29 44  1  0
 30 45  1  0
 31 46  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       3.864   2.073   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       2.530   1.303   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       1.197   2.073   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.197   3.613   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.530   4.383   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       3.864   3.613   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0       2.530   5.923   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      -0.268   4.089   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -1.173   2.843   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -0.268   1.597   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -0.744   0.132   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.161  -1.114   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.744  -2.359   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.208  -1.884   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.208  -0.344   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -3.454  -2.789   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.861  -2.162   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0      -5.022  -0.631   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0      -3.491  -0.470   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -6.554  -0.792   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.183   0.901   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -0.268  -3.824   0.000  0.00  0.00           O+0
HETATM   23  P   UNK     0      -1.298  -4.969   0.000  0.00  0.00           P+0
HETATM   24  O   UNK     0      -2.443  -3.938   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -0.154  -5.999   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -2.329  -6.113   0.000  0.00  0.00           O+0
HETATM   27  S   UNK     0      -1.853  -7.578   0.000  0.00  0.00           S+0
HETATM   28  O   UNK     0      -1.377  -9.042   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -3.318  -8.053   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -0.388  -7.102   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       1.701  -1.114   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5                                                            
CONECT    8    4    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    3   11                                                  
CONECT   11   10   12   15                                                  
CONECT   12   11   13   31                                                  
CONECT   13   12   14   22                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14   11                                                       
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22   13   23                                                       
CONECT   23   22   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   23   27                                                       
CONECT   27   26   28   29   30                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   27                                                            
CONECT   31   12                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

COMPND    HMDB0257827
HETATM    1  N1  UNL     1       7.222  -0.333   0.118  1.00  0.00           N  
HETATM    2  C1  UNL     1       6.116   0.544   0.108  1.00  0.00           C  
HETATM    3  N2  UNL     1       6.232   1.862   0.356  1.00  0.00           N  
HETATM    4  C2  UNL     1       5.139   2.624   0.328  1.00  0.00           C  
HETATM    5  N3  UNL     1       3.904   2.147   0.060  1.00  0.00           N  
HETATM    6  C3  UNL     1       3.723   0.831  -0.197  1.00  0.00           C  
HETATM    7  C4  UNL     1       4.851   0.037  -0.169  1.00  0.00           C  
HETATM    8  N4  UNL     1       4.467  -1.223  -0.447  1.00  0.00           N  
HETATM    9  C5  UNL     1       3.130  -1.200  -0.642  1.00  0.00           C  
HETATM   10  N5  UNL     1       2.668   0.066  -0.488  1.00  0.00           N  
HETATM   11  C6  UNL     1       1.285   0.512  -0.615  1.00  0.00           C  
HETATM   12  O1  UNL     1       0.533  -0.415  -1.292  1.00  0.00           O  
HETATM   13  C7  UNL     1      -0.236  -1.107  -0.363  1.00  0.00           C  
HETATM   14  C8  UNL     1      -1.444  -1.751  -0.956  1.00  0.00           C  
HETATM   15  O2  UNL     1      -2.139  -2.409   0.038  1.00  0.00           O  
HETATM   16  P1  UNL     1      -3.523  -3.180  -0.490  1.00  0.00           P  
HETATM   17  O3  UNL     1      -3.347  -4.678  -0.607  1.00  0.00           O  
HETATM   18  O4  UNL     1      -4.751  -2.919   0.649  1.00  0.00           O  
HETATM   19  O5  UNL     1      -4.064  -2.609  -1.984  1.00  0.00           O  
HETATM   20  C9  UNL     1      -0.688   0.032   0.546  1.00  0.00           C  
HETATM   21  O6  UNL     1      -1.519   0.835  -0.216  1.00  0.00           O  
HETATM   22  P2  UNL     1      -3.011   1.117   0.461  1.00  0.00           P  
HETATM   23  O7  UNL     1      -3.045   2.489   1.092  1.00  0.00           O  
HETATM   24  O8  UNL     1      -3.440  -0.075   1.609  1.00  0.00           O  
HETATM   25  O9  UNL     1      -4.179   1.058  -0.766  1.00  0.00           O  
HETATM   26  S1  UNL     1      -5.092   2.481  -0.761  1.00  0.00           S  
HETATM   27  O10 UNL     1      -6.380   2.296  -1.504  1.00  0.00           O  
HETATM   28  O11 UNL     1      -5.394   2.837   0.670  1.00  0.00           O  
HETATM   29  O12 UNL     1      -4.251   3.745  -1.481  1.00  0.00           O  
HETATM   30  C10 UNL     1       0.678   0.702   0.754  1.00  0.00           C  
HETATM   31  O13 UNL     1       1.323  -0.052   1.732  1.00  0.00           O  
HETATM   32  H1  UNL     1       7.489  -0.804   1.002  1.00  0.00           H  
HETATM   33  H2  UNL     1       7.779  -0.524  -0.735  1.00  0.00           H  
HETATM   34  H3  UNL     1       5.210   3.683   0.524  1.00  0.00           H  
HETATM   35  H4  UNL     1       2.565  -2.080  -0.880  1.00  0.00           H  
HETATM   36  H5  UNL     1       1.265   1.516  -1.126  1.00  0.00           H  
HETATM   37  H6  UNL     1       0.338  -1.865   0.200  1.00  0.00           H  
HETATM   38  H7  UNL     1      -1.214  -2.410  -1.818  1.00  0.00           H  
HETATM   39  H8  UNL     1      -2.076  -0.922  -1.391  1.00  0.00           H  
HETATM   40  H9  UNL     1      -4.424  -3.315   1.505  1.00  0.00           H  
HETATM   41  H10 UNL     1      -4.816  -3.205  -2.256  1.00  0.00           H  
HETATM   42  H11 UNL     1      -1.116  -0.312   1.485  1.00  0.00           H  
HETATM   43  H12 UNL     1      -4.436  -0.017   1.680  1.00  0.00           H  
HETATM   44  H13 UNL     1      -4.136   4.516  -0.858  1.00  0.00           H  
HETATM   45  H14 UNL     1       0.568   1.765   1.031  1.00  0.00           H  
HETATM   46  H15 UNL     1       2.240  -0.289   1.479  1.00  0.00           H  
CONECT    1    2   32   33
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   34
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   35
CONECT   10   11
CONECT   11   12   30   36
CONECT   12   13
CONECT   13   14   20   37
CONECT   14   15   38   39
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   40
CONECT   19   41
CONECT   20   21   30   42
CONECT   21   22
CONECT   22   23   23   24   25
CONECT   24   43
CONECT   25   26
CONECT   26   27   27   28   28
CONECT   26   29
CONECT   29   44
CONECT   30   31   45
CONECT   31   46
END

HMDB0257827
     RDKit          3D
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3...
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.2221   -0.3335    0.1180 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1156    0.5438    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2318    1.8618    0.3561 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1391    2.6238    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9038    2.1468    0.0604 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233    0.8308   -0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    0.0374   -0.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4669   -1.2234   -0.4473 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299   -1.1999   -0.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6679    0.0663   -0.4882 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2851    0.5122   -0.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5326   -0.4151   -1.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2360   -1.1065   -0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4442   -1.7508   -0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1391   -2.4093    0.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5226   -3.1798   -0.4904 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.3469   -4.6781   -0.6065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7515   -2.9194    0.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0639   -2.6088   -1.9838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883    0.0315    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193    0.8354   -0.2160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0110    1.1167    0.4606 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.0446    2.4885    1.0916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4404   -0.0747    1.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1794    1.0575   -0.7664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0924    2.4808   -0.7606 S   0  0  0  0  0  6  0  0  0  0  0  0
   -6.3795    2.2956   -1.5043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3937    2.8373    0.6698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2509    3.7445   -1.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    0.7021    0.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3235   -0.0518    1.7325 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4893   -0.8035    1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7790   -0.5236   -0.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2098    3.6826    0.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647   -2.0798   -0.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2651    1.5155   -1.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378   -1.8649    0.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142   -2.4101   -1.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763   -0.9219   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4243   -3.3147    1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8164   -3.2051   -2.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1161   -0.3117    1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4365   -0.0171    1.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1362    4.5159   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676    1.7652    1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402   -0.2890    1.4794 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
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 13 20  1  0
 20 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  2  0
 26 29  1  0
 20 30  1  0
 30 31  1  0
  7  2  1  0
 30 11  1  0
 10  6  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
  9 35  1  0
 11 36  1  0
 13 37  1  0
 14 38  1  0
 14 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
 24 43  1  0
 29 44  1  0
 30 45  1  0
 31 46  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfO hydrogen phosphoric acid	Generator
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulphO hydrogen phosphate	Generator
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulphO hydrogen phosphoric acid	Generator
[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]sulfonate	HMDB
[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]sulphonate	HMDB
[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]sulphonic acid	HMDB

Chemical Formula

C₁₀H₁₅N₅O₁₃P₂S

Average Molecular Weight

507.26

Monoisotopic Molecular Weight

506.986230733

IUPAC Name

[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]sulfonic acid

Traditional Name

{[5-(6-aminopurin-9-yl)-4-hydroxy-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy(hydroxy)phosphoryl}oxysulfonic acid

CAS Registry Number

Not Available

SMILES

NC1=NC=NC2=C1N=CN2C1OC(COP(O)(O)=O)C(OP(O)(=O)OS(O)(=O)=O)C1O

InChI Identifier

InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(4(26-10)1-25-29(17,18)19)27-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)

InChI Key

GCWYYXZQNSUOEN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to 3' and 5' hydroxyl groups of the ribose moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside 3',5'-bisphosphates

Alternative Parents

Substituents

Purine ribonucleoside 3',5'-bisphosphate
Purine ribonucleoside monophosphate
Ribonucleoside 3'-phosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-aminopurine
Monosaccharide phosphate
Pentose monosaccharide
Imidazopyrimidine
Purine
Monoalkyl phosphate
Aminopyrimidine
Alkyl phosphate
Pyrimidine
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Imidolactam
Heteroaromatic compound
Organic sulfuric acid or derivatives
Imidazole
Azole
Oxolane
Secondary alcohol
Azacycle
Oxacycle
Organoheterocyclic compound
Primary amine
Alcohol
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organic oxide
Hydrocarbon derivative
Amine
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)

Source

Exogenous

Exogenous (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	-0.67	ALOGPS
logP	-5.7	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	-1.7	ChemAxon
pKa (Strongest Basic)	3.94	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	275.97 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	94.93 m³·mol⁻¹	ChemAxon
Polarizability	39.67 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]+	178.982	30932474
DeepCCS	[M-H]-	176.105	30932474
DeepCCS	[M-2H]-	210.484	30932474
DeepCCS	[M+Na]+	186.647	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate	NC1=NC=NC2=C1N=CN2C1OC(COP(O)(O)=O)C(OP(O)(=O)OS(O)(=O)=O)C1O	5027.6	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate	NC1=NC=NC2=C1N=CN2C1OC(COP(O)(O)=O)C(OP(O)(=O)OS(O)(=O)=O)C1O	2855.4	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate	NC1=NC=NC2=C1N=CN2C1OC(COP(O)(O)=O)C(OP(O)(=O)OS(O)(=O)=O)C1O	4334.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	4107.5	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	3962.3	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	7367.3	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	4157.4	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	4076.3	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	6859.8	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O	4118.8	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O	4083.0	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O	6922.4	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O)[Si](C)(C)C	4117.4	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O)[Si](C)(C)C	4152.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #12	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O)[Si](C)(C)C	7168.8	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #2	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	4083.7	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #2	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	3978.4	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #2	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	7111.2	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #3	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4113.9	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #3	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	3986.3	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #3	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	7014.2	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C	4088.8	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C	3946.8	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C	7159.6	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O)OS(=O)(=O)O[Si](C)(C)C	4133.7	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O)OS(=O)(=O)O[Si](C)(C)C	4080.0	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O)OS(=O)(=O)O[Si](C)(C)C	7154.6	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C	4145.6	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C	4078.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C	7056.1	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O	4144.9	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O	4049.4	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O	7195.4	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O)O[Si](C)(C)C	4142.2	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O)O[Si](C)(C)C	4089.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O)O[Si](C)(C)C	6859.9	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O	4139.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O	4112.5	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O	6864.3	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	3975.8	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	4076.8	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	6733.1	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O	4040.9	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O	4181.0	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O	6448.3	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[Si](C)(C)C	4006.6	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[Si](C)(C)C	4151.8	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[Si](C)(C)C	6496.6	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O	4050.3	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O	4155.3	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O	6398.0	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #13	C[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O	4025.5	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #13	C[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O	4255.4	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #13	C[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O	6590.6	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[Si](C)(C)C	4020.9	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[Si](C)(C)C	4158.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #14	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[Si](C)(C)C	6407.8	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	4056.4	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	4151.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	6266.1	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O	4053.2	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O	4172.4	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O	6287.3	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #17	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O	4059.4	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #17	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O	4247.1	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #17	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O	6369.5	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #18	C[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O)OS(=O)(=O)O	4010.5	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #18	C[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O)OS(=O)(=O)O	4277.0	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #18	C[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O)OS(=O)(=O)O	6411.4	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	3989.1	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4069.5	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #2	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	6643.4	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	4007.9	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	4065.8	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	6632.1	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4000.4	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4069.3	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #4	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	6532.7	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C	3983.2	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C	4055.8	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C	6483.2	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	3994.8	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4050.1	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #6	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	6506.9	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C	4005.6	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C	4048.9	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C	6431.8	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3984.4	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4151.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #8	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	6602.6	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C	4018.2	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C	4171.7	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C	6515.5	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	3909.7	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4161.9	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	6237.0	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3922.8	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4221.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	5984.8	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[Si](C)(C)C	3913.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[Si](C)(C)C	4220.1	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)O[Si](C)(C)C	6119.9	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O	3949.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O	4248.7	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O	5916.0	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O)OS(=O)(=O)O[Si](C)(C)C	3929.8	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O)OS(=O)(=O)O[Si](C)(C)C	4359.9	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O)OS(=O)(=O)O[Si](C)(C)C	5966.9	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O	3958.9	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O	4227.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O	5890.5	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C	3951.4	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C	4323.7	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C	5934.3	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O	3962.1	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O	4218.9	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O	5843.2	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O)O[Si](C)(C)C	3956.5	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O)O[Si](C)(C)C	4312.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O)O[Si](C)(C)C	5846.7	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O	3951.6	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O	4331.7	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O	5861.4	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	3925.3	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	4181.4	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	6070.9	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	3897.5	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4141.8	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	6216.4	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	3928.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	4156.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	6032.1	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3892.4	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4258.1	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	6107.3	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	3907.3	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4114.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	6171.7	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C	3921.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C	4133.9	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C	5969.4	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3887.6	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4237.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	6010.8	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C	3932.5	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C	4110.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C	5952.2	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	3852.2	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4225.7	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	5903.9	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C	3890.3	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C	4409.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C	5471.8	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[Si](C)(C)C	3906.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[Si](C)(C)C	4383.7	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)O[Si](C)(C)C	5456.5	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[Si](C)(C)C	3901.1	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[Si](C)(C)C	4371.3	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)O[Si](C)(C)C	5427.6	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	3874.6	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	4257.5	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	5598.1	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3859.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4356.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	5573.2	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	3881.7	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	4233.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C1O[Si](C)(C)C	5584.8	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3873.1	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4325.4	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	5561.5	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C	3884.5	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C	4187.1	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C	5555.9	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3870.2	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4297.1	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	5512.5	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3886.9	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4267.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	5516.7	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O	3901.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O	4311.0	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(OP(=O)(O[Si](C)(C)C)OS(=O)(=O)O[Si](C)(C)C)C1O	5503.1	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	4528.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	4487.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	7163.7	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	4502.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	4564.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	6809.9	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C1O	4472.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C1O	4574.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C1O	6892.8	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O)[Si](C)(C)C(C)(C)C	4456.3	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O)[Si](C)(C)C(C)(C)C	4615.9	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O)[Si](C)(C)C(C)(C)C	6915.4	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	4491.4	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	4452.7	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	7097.3	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4531.4	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4469.8	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	6971.3	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C(C)(C)C	4444.3	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C(C)(C)C	4480.9	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C(C)(C)C	6984.8	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C	4526.8	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C	4576.4	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N)N=CN=C32)C1O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C	7077.9	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C	4544.3	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C	4580.9	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C	6954.6	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O	4494.2	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O	4603.1	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O	6949.0	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O)O[Si](C)(C)C(C)(C)C	4533.6	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O)O[Si](C)(C)C(C)(C)C	4534.7	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O)O[Si](C)(C)C(C)(C)C	6883.3	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O	4528.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O	4557.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O	6901.5	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	4531.5	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	4792.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)OC1N1C=NC2=C(N)N=CN=C21	6708.6	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O	4533.7	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O	4921.1	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O	6434.2	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4558.1	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4847.7	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	6525.0	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O	4547.8	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O	4908.7	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O	6366.2	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O	4511.3	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O	4971.1	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OS(=O)(=O)OP(=O)(O)OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O	6385.6	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)O[Si](C)(C)C(C)(C)C	4547.1	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)O[Si](C)(C)C(C)(C)C	4789.7	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)O[Si](C)(C)C(C)(C)C	6507.7	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	4543.6	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	4833.0	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O	6344.0	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C1O	4546.4	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C1O	4859.1	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C1O	6354.5	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)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)C(O)C1OP(=O)(O)OS(=O)(=O)O	4520.7	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)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)C(O)C1OP(=O)(O)OS(=O)(=O)O	4906.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)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)C(O)C1OP(=O)(O)OS(=O)(=O)O	6311.5	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O)OS(=O)(=O)O	4509.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O)OS(=O)(=O)O	4920.1	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC1C(COP(=O)(O)O)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O)OS(=O)(=O)O	6368.2	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4557.7	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4799.8	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	6613.9	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4503.2	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4842.0	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O)OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	6515.2	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4545.9	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4729.9	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	6588.0	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C(C)(C)C	4495.3	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C(C)(C)C	4764.8	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O)C(OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O)C1O[Si](C)(C)C(C)(C)C	6495.6	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4552.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	4707.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC2=C(N)N=CN=C21	6575.5	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C(C)(C)C	4513.7	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C(C)(C)C	4770.6	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(OP(=O)(O)OS(=O)(=O)O)C1O[Si](C)(C)C(C)(C)C	6432.2	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	4472.2	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	4832.8	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(OP(=O)(O)OS(=O)(=O)O)C(COP(=O)(O)O)OC1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	6454.4	Standard polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C	4557.0	Semi standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C	4867.2	Standard non polar	33892256
[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OS(=O)(=O)O[Si](C)(C)C(C)(C)C	6535.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - [(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo 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

10613316

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21226252

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,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate (HMDB0257827)

MOL for HMDB0257827 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate)

3D MOL for HMDB0257827 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate)

3D SDF for HMDB0257827 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate)

3D-SDF for HMDB0257827 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate)

PDB for HMDB0257827 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate)

3D PDB for HMDB0257827 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate)

SMILES for HMDB0257827 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate)

INCHI for HMDB0257827 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate)

Structure for HMDB0257827 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate)

3D Structure for HMDB0257827 ([(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] sulfo hydrogen phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra