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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 18:57:35 UTC

Update Date

2021-09-26 23:14:27 UTC

HMDB ID

HMDB0257860

Secondary Accession Numbers

None

Metabolite Identification

Common Name

[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Description

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

Structure

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


  Mrv1652310061709492D          

 25 26  0  0  0  0            999 V2000
    1.7044   -3.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032   -0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -3.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990   -4.0009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -2.5798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -1.9986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977   -1.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871    2.6392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9225    1.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086    2.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4143   -0.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9044    1.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3748    0.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637   -1.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    1.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1155    1.8322    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1594    0.7703    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  1  0  0  0  0
 12  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 21  3  1  0  0  0  0
 22  4  1  0  0  0  0
 22  8  1  0  0  0  0
 24 16  1  0  0  0  0
 24 17  1  0  0  0  0
 24 18  2  0  0  0  0
 24 23  1  0  0  0  0
 25 19  1  0  0  0  0
 25 20  2  0  0  0  0
 25 21  1  0  0  0  0
 25 23  1  0  0  0  0
M  END

HMDB0257860
     RDKit          3D
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methy...
 40 41  0  0  0  0  0  0  0  0999 V2000
    6.8293   -0.6225   -1.9780 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6041   -0.4241   -1.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5266   -0.5836   -2.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335   -0.3526   -1.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210    0.0590   -0.5716 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8555    0.3201   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    0.1817   -1.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2896    0.1156   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345    1.0211   -0.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330    1.1956    0.5211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299    0.5109    0.5263 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.4511   -0.8934   -0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9856    0.1307    2.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8844    1.2211   -0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9732   -0.0648   -0.6552 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.3849   -0.8781   -1.8108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9610   -1.1224    0.6778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5027    0.4928   -0.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046   -0.0829    1.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8741   -1.0794    1.7127 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793   -0.5425    1.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418   -0.2900    2.3348 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2107    0.2276    0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0285    0.6769    1.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4475   -0.0050   -0.2680 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6129   -0.4859   -1.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764   -0.8446   -3.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002   -0.4606   -2.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369    1.3782    0.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522   -0.9572   -0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0152    2.0318   -0.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0444    0.6276   -1.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3019    0.6001    2.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0355   -0.5848    1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9233   -0.0841   -1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657    0.8784    1.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788   -0.8777    2.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3213   -1.6322    0.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3473   -1.1387    2.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7222    0.7233    2.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  5 23  1  0
 23 24  1  0
 23 25  2  0
 25  2  1  0
 21  6  1  0
  1 26  1  0
  3 27  1  0
  4 28  1  0
  6 29  1  0
  8 30  1  0
  9 31  1  0
  9 32  1  0
 13 33  1  0
 17 34  1  0
 18 35  1  0
 19 36  1  0
 20 37  1  0
 21 38  1  0
 22 39  1  0
 24 40  1  0
M  END


  Mrv1652310061709492D          

 25 26  0  0  0  0            999 V2000
    1.7044   -3.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032   -0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -3.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990   -4.0009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -2.5798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -1.9986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977   -1.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871    2.6392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9225    1.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086    2.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4143   -0.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9044    1.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3748    0.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637   -1.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    1.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1155    1.8322    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1594    0.7703    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  1  0  0  0  0
 12  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 21  3  1  0  0  0  0
 22  4  1  0  0  0  0
 22  8  1  0  0  0  0
 24 16  1  0  0  0  0
 24 17  1  0  0  0  0
 24 18  2  0  0  0  0
 24 23  1  0  0  0  0
 25 19  1  0  0  0  0
 25 20  2  0  0  0  0
 25 21  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0257860

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(O)C(OC1COP(O)(=O)OP(O)(O)=O)N1C=CC(=N)N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)

> <INCHI_KEY>
ZWIADYZPOWUWEW-UHFFFAOYSA-N

> <FORMULA>
C9H15N3O11P2

> <MOLECULAR_WEIGHT>
403.177

> <EXACT_MASS>
403.018182311

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
31.59658560026827

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

> <ALOGPS_LOGP>
-1.81

> <JCHEM_LOGP>
-3.342881794666666

> <ALOGPS_LOGS>
-1.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.210693453383893

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7787851127589382

> <JCHEM_PKA_STRONGEST_BASIC>
-0.03320007450946616

> <JCHEM_POLAR_SURFACE_AREA>
221.66999999999996

> <JCHEM_REFRACTIVITY>
76.2906

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.19e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cytidine diphosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0257860
     RDKit          3D
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methy...
 40 41  0  0  0  0  0  0  0  0999 V2000
    6.8293   -0.6225   -1.9780 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6041   -0.4241   -1.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5266   -0.5836   -2.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335   -0.3526   -1.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210    0.0590   -0.5716 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8555    0.3201   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    0.1817   -1.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2896    0.1156   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345    1.0211   -0.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330    1.1956    0.5211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299    0.5109    0.5263 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.4511   -0.8934   -0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9856    0.1307    2.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8844    1.2211   -0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9732   -0.0648   -0.6552 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.3849   -0.8781   -1.8108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9610   -1.1224    0.6778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5027    0.4928   -0.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046   -0.0829    1.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8741   -1.0794    1.7127 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793   -0.5425    1.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418   -0.2900    2.3348 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2107    0.2276    0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0285    0.6769    1.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4475   -0.0050   -0.2680 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6129   -0.4859   -1.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764   -0.8446   -3.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002   -0.4606   -2.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369    1.3782    0.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522   -0.9572   -0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0152    2.0318   -0.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0444    0.6276   -1.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3019    0.6001    2.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0355   -0.5848    1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9233   -0.0841   -1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657    0.8784    1.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788   -0.8777    2.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3213   -1.6322    0.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3473   -1.1387    2.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7222    0.7233    2.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  5 23  1  0
 23 24  1  0
 23 25  2  0
 25  2  1  0
 21  6  1  0
  1 26  1  0
  3 27  1  0
  4 28  1  0
  6 29  1  0
  8 30  1  0
  9 31  1  0
  9 32  1  0
 13 33  1  0
 17 34  1  0
 18 35  1  0
 19 36  1  0
 20 37  1  0
 21 38  1  0
 22 39  1  0
 24 40  1  0
M  END

HEADER    PROTEIN                                 06-OCT-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-OCT-17         0                                  
HETATM    1  C   UNK     0       3.182  -6.383   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.087  -5.138   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.846  -0.544   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.381  -1.020   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.650  -6.222   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.136  -0.115   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.890  -1.020   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.366  -2.485   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.929  -3.570   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       0.745  -7.468   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       1.024  -4.816   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       3.460  -3.731   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0       5.136   1.425   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       2.425  -0.544   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.302  -2.163   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      11.736   4.927   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      12.922   3.100   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       9.909   3.740   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      10.107  -0.027   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       9.155   2.903   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       8.166   0.962   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       5.906  -2.485   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      11.095   1.914   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0      11.416   3.420   0.000  0.00  0.00           P+0
HETATM   25  P   UNK     0       9.631   1.438   0.000  0.00  0.00           P+0
CONECT    1    2    5                                                       
CONECT    2    1   12                                                       
CONECT    3    4   21                                                       
CONECT    4    3    6   22                                                  
CONECT    5    1   10   11                                                  
CONECT    6    4    7   13                                                  
CONECT    7    6    8   14                                                  
CONECT    8    7   12   22                                                  
CONECT    9   11   12   15                                                  
CONECT   10    5                                                            
CONECT   11    5    9                                                       
CONECT   12    2    8    9                                                  
CONECT   13    6                                                            
CONECT   14    7                                                            
CONECT   15    9                                                            
CONECT   16   24                                                            
CONECT   17   24                                                            
CONECT   18   24                                                            
CONECT   19   25                                                            
CONECT   20   25                                                            
CONECT   21    3   25                                                       
CONECT   22    4    8                                                       
CONECT   23   24   25                                                       
CONECT   24   16   17   18   23                                             
CONECT   25   19   20   21   23                                             
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

COMPND    HMDB0257860
HETATM    1  N1  UNL     1       6.829  -0.622  -1.978  1.00  0.00           N  
HETATM    2  C1  UNL     1       5.604  -0.424  -1.573  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.527  -0.584  -2.355  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.233  -0.353  -1.870  1.00  0.00           C  
HETATM    5  N2  UNL     1       3.121   0.059  -0.572  1.00  0.00           N  
HETATM    6  C4  UNL     1       1.855   0.320  -0.036  1.00  0.00           C  
HETATM    7  O1  UNL     1       0.831   0.182  -1.026  1.00  0.00           O  
HETATM    8  C5  UNL     1      -0.290   0.116  -0.321  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.434   1.021  -0.715  1.00  0.00           C  
HETATM   10  O2  UNL     1      -2.133   1.196   0.521  1.00  0.00           O  
HETATM   11  P1  UNL     1      -3.630   0.511   0.526  1.00  0.00           P  
HETATM   12  O3  UNL     1      -3.451  -0.893  -0.188  1.00  0.00           O  
HETATM   13  O4  UNL     1      -3.986   0.131   2.174  1.00  0.00           O  
HETATM   14  O5  UNL     1      -4.884   1.221  -0.266  1.00  0.00           O  
HETATM   15  P2  UNL     1      -5.973  -0.065  -0.655  1.00  0.00           P  
HETATM   16  O6  UNL     1      -5.385  -0.878  -1.811  1.00  0.00           O  
HETATM   17  O7  UNL     1      -5.961  -1.122   0.678  1.00  0.00           O  
HETATM   18  O8  UNL     1      -7.503   0.493  -0.969  1.00  0.00           O  
HETATM   19  C7  UNL     1      -0.105  -0.083   1.133  1.00  0.00           C  
HETATM   20  O9  UNL     1      -0.874  -1.079   1.713  1.00  0.00           O  
HETATM   21  C8  UNL     1       1.379  -0.542   1.112  1.00  0.00           C  
HETATM   22  O10 UNL     1       1.942  -0.290   2.335  1.00  0.00           O  
HETATM   23  C9  UNL     1       4.211   0.228   0.172  1.00  0.00           C  
HETATM   24  O11 UNL     1       4.029   0.677   1.503  1.00  0.00           O  
HETATM   25  N3  UNL     1       5.448  -0.005  -0.268  1.00  0.00           N  
HETATM   26  H1  UNL     1       7.613  -0.486  -1.276  1.00  0.00           H  
HETATM   27  H2  UNL     1       4.676  -0.845  -3.397  1.00  0.00           H  
HETATM   28  H3  UNL     1       2.400  -0.461  -2.535  1.00  0.00           H  
HETATM   29  H4  UNL     1       1.737   1.378   0.335  1.00  0.00           H  
HETATM   30  H5  UNL     1      -0.752  -0.957  -0.652  1.00  0.00           H  
HETATM   31  H6  UNL     1      -1.015   2.032  -0.957  1.00  0.00           H  
HETATM   32  H7  UNL     1      -2.044   0.628  -1.496  1.00  0.00           H  
HETATM   33  H8  UNL     1      -3.302   0.600   2.757  1.00  0.00           H  
HETATM   34  H9  UNL     1      -6.035  -0.585   1.493  1.00  0.00           H  
HETATM   35  H10 UNL     1      -7.923  -0.084  -1.682  1.00  0.00           H  
HETATM   36  H11 UNL     1      -0.166   0.878   1.702  1.00  0.00           H  
HETATM   37  H12 UNL     1      -0.979  -0.878   2.689  1.00  0.00           H  
HETATM   38  H13 UNL     1       1.321  -1.632   0.878  1.00  0.00           H  
HETATM   39  H14 UNL     1       2.347  -1.139   2.682  1.00  0.00           H  
HETATM   40  H15 UNL     1       4.722   0.723   2.190  1.00  0.00           H  
CONECT    1    2    2   26
CONECT    2    3   25
CONECT    3    4    4   27
CONECT    4    5   28
CONECT    5    6   23
CONECT    6    7   21   29
CONECT    7    8
CONECT    8    9   19   30
CONECT    9   10   31   32
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   33
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   34
CONECT   18   35
CONECT   19   20   21   36
CONECT   20   37
CONECT   21   22   38
CONECT   22   39
CONECT   23   24   25   25
CONECT   24   40
END

HMDB0257860
     RDKit          3D
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methy...
 40 41  0  0  0  0  0  0  0  0999 V2000
    6.8293   -0.6225   -1.9780 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6041   -0.4241   -1.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5266   -0.5836   -2.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335   -0.3526   -1.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210    0.0590   -0.5716 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8555    0.3201   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    0.1817   -1.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2896    0.1156   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4345    1.0211   -0.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330    1.1956    0.5211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299    0.5109    0.5263 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.4511   -0.8934   -0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9856    0.1307    2.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8844    1.2211   -0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9732   -0.0648   -0.6552 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.3849   -0.8781   -1.8108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9610   -1.1224    0.6778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5027    0.4928   -0.9689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1046   -0.0829    1.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8741   -1.0794    1.7127 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793   -0.5425    1.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418   -0.2900    2.3348 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2107    0.2276    0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0285    0.6769    1.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4475   -0.0050   -0.2680 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6129   -0.4859   -1.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764   -0.8446   -3.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002   -0.4606   -2.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369    1.3782    0.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522   -0.9572   -0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0152    2.0318   -0.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0444    0.6276   -1.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3019    0.6001    2.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0355   -0.5848    1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9233   -0.0841   -1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657    0.8784    1.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788   -0.8777    2.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3213   -1.6322    0.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3473   -1.1387    2.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7222    0.7233    2.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  8 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  5 23  1  0
 23 24  1  0
 23 25  2  0
 25  2  1  0
 21  6  1  0
  1 26  1  0
  3 27  1  0
  4 28  1  0
  6 29  1  0
  8 30  1  0
  9 31  1  0
  9 32  1  0
 13 33  1  0
 17 34  1  0
 18 35  1  0
 19 36  1  0
 20 37  1  0
 21 38  1  0
 22 39  1  0
 24 40  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
[({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonate	Generator

Chemical Formula

C₉H₁₅N₃O₁₁P₂

Average Molecular Weight

403.177

Monoisotopic Molecular Weight

403.018182311

IUPAC Name

[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

Traditional Name

cytidine diphosphate

CAS Registry Number

Not Available

SMILES

OC1C(O)C(OC1COP(O)(=O)OP(O)(O)=O)N1C=CC(=N)N=C1O

InChI Identifier

InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)

InChI Key

ZWIADYZPOWUWEW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine ribonucleoside diphosphates. These are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine ribonucleotides

Direct Parent

Pyrimidine ribonucleoside diphosphates

Alternative Parents

Substituents

Pyrimidine ribonucleoside diphosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Pentose monosaccharide
Organic pyrophosphate
Monosaccharide phosphate
Aminopyrimidine
Pyrimidone
Monoalkyl phosphate
Alkyl phosphate
Pyrimidine
Monosaccharide
Phosphoric acid ester
Hydropyrimidine
Imidolactam
Organic phosphoric acid derivative
Tetrahydrofuran
Heteroaromatic compound
Secondary alcohol
1,2-diol
Oxacycle
Azacycle
Organoheterocyclic compound
Amine
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Primary amine
Organonitrogen compound
Organooxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-1.8	ALOGPS
logP	-3.3	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	1.78	ChemAxon
pKa (Strongest Basic)	-0.033	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	221.67 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	76.29 m³·mol⁻¹	ChemAxon
Polarizability	31.6 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	125.85	30932474
DeepCCS	[M-H]-	122.619	30932474
DeepCCS	[M-2H]-	158.295	30932474
DeepCCS	[M+Na]+	134.238	30932474
AllCCS	[M+H]+	183.2	32859911
AllCCS	[M+H-H2O]+	180.6	32859911
AllCCS	[M+NH4]+	185.5	32859911
AllCCS	[M+Na]+	186.2	32859911
AllCCS	[M-H]-	175.4	32859911
AllCCS	[M+Na-2H]-	175.4	32859911
AllCCS	[M+HCOO]-	175.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate	OC1C(O)C(OC1COP(O)(=O)OP(O)(O)=O)N1C=CC(=N)N=C1O	5143.2	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate	OC1C(O)C(OC1COP(O)(=O)OP(O)(O)=O)N1C=CC(=N)N=C1O	2828.8	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate	OC1C(O)C(OC1COP(O)(=O)OP(O)(O)=O)N1C=CC(=N)N=C1O	3660.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3317.3	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3106.4	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4747.3	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3444.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3147.3	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	4393.2	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3319.6	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3354.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	4669.4	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	3447.8	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	3222.2	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #12	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	4239.8	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3321.0	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3430.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #13	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	4512.7	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3324.9	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3424.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	4527.4	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3307.2	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3195.3	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #15	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4655.1	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3233.9	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3388.6	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	4812.0	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3309.3	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3176.5	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #17	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4666.4	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3230.9	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3382.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #18	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	4850.8	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(=N)N=C1O	3443.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(=N)N=C1O	3237.1	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #19	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=CC(=N)N=C1O	4254.7	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3310.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3101.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4787.9	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3314.8	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3443.6	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #20	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	4526.7	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3320.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3431.8	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #21	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	4535.8	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3316.2	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3283.2	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #22	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	4471.9	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3239.2	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3477.1	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #23	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	4665.7	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3245.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3476.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #24	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	4674.9	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O)=N1	3342.2	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O)=N1	3522.6	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #25	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O)=N1	4347.2	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3240.9	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3295.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #3	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	4945.1	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3318.6	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3187.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4638.7	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3245.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3382.2	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #5	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	4794.7	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3318.2	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3173.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4656.1	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3237.3	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3377.0	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	4840.1	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3446.8	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3165.0	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	4377.5	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3318.6	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3357.3	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	4618.7	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3261.0	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3151.0	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4360.2	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3292.7	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3398.6	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #10	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	4220.5	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3309.9	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	3451.1	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #11	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	4083.4	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3254.2	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3221.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #12	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4244.0	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3197.5	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3436.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #13	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	4400.0	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3203.8	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3425.0	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #14	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	4392.9	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3300.2	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	3468.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #15	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	4097.5	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3209.4	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3491.4	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #16	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	4225.4	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3199.4	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3353.3	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #2	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	4473.2	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3253.2	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3135.8	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4358.5	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3188.0	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3352.4	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #4	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	4533.6	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3259.9	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3210.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #5	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4226.4	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3203.3	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3428.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #6	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	4382.5	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3205.6	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3421.4	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #7	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	4382.2	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3394.6	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3177.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #8	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C	3968.3	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3297.3	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3406.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,5TMS,isomer #9	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	4222.0	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3215.6	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3173.4	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3971.4	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #2	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3181.4	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #2	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3386.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #2	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	4105.8	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #3	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3178.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #3	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3372.6	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #3	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	4097.6	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #4	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3200.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #4	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3437.1	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #4	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3975.0	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #5	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3278.2	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #5	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3415.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #5	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	3818.4	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #6	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3199.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #6	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3449.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,6TMS,isomer #6	C[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3991.6	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4122.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3783.3	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4865.9	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C(C)(C)C	4169.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C(C)(C)C	3794.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C(C)(C)C	4557.0	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4039.8	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4012.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4806.6	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	4169.0	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	3833.3	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=CC(=N)N=C2O)C1O	4404.6	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=N1	4057.5	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=N1	4071.2	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=N1	4650.2	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=N1	4059.9	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=N1	4036.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=N1	4672.1	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4110.3	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3848.3	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4772.3	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	4005.6	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	4046.6	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	4900.2	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4108.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3816.2	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4789.7	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	4016.3	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	4048.8	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	4937.7	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(=N)N=C1O	4161.6	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(=N)N=C1O	3853.2	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=CC(=N)N=C1O	4417.8	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4133.8	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3782.6	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4910.4	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4047.7	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4102.1	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4663.9	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4051.5	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4060.7	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4679.1	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	4085.5	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	3870.6	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	4620.1	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4011.5	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4092.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4772.8	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4018.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4063.6	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4787.7	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=N1	4069.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=N1	4090.5	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=N1	4514.9	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3986.4	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3947.4	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	5024.3	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4116.7	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3837.9	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4754.9	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4016.2	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4032.1	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4883.3	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4112.1	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3811.5	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1C1OC(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4779.4	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4021.3	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4039.0	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	4927.7	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C(C)(C)C	4171.2	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C(C)(C)C	3823.3	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=CC(=N)N=C2O)C1O[Si](C)(C)C(C)(C)C	4535.0	Standard polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4022.8	Semi standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4003.3	Standard non polar	33892256
[(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1C=CN(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	4760.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-004i-5911000000-1b75aa88ce8860d8ab27	2018-04-09	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid GC-MS (TMS_3_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate 10V, Positive-QTOF	splash10-03di-0901000000-a4834078fa17a37466b2	2018-04-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate 20V, Positive-QTOF	splash10-03di-4900000000-23d366cb979990dfa2b0	2018-04-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate 40V, Positive-QTOF	splash10-03di-6900000000-44e3f9668de06af454b3	2018-04-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate 10V, Negative-QTOF	splash10-0w29-0904500000-717c96bedba3d95cd1c4	2018-04-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate 20V, Negative-QTOF	splash10-01t9-9501000000-f775890002ccfb44f235	2018-04-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate 40V, Negative-QTOF	splash10-004i-9100000000-8a7b884a1ec12cca689a	2018-04-06	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View

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

284

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

290

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 [(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate (HMDB0257860)

MOL for HMDB0257860 ([(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate)

3D MOL for HMDB0257860 ([(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate)

3D SDF for HMDB0257860 ([(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate)

3D-SDF for HMDB0257860 ([(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate)

PDB for HMDB0257860 ([(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate)

3D PDB for HMDB0257860 ([(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate)

SMILES for HMDB0257860 ([(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate)

INCHI for HMDB0257860 ([(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate)

Structure for HMDB0257860 ([(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate)

3D Structure for HMDB0257860 ([(2S,3R,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra