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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 19:19:20 UTC

Update Date

2021-09-26 23:14:49 UTC

HMDB ID

HMDB0258118

Secondary Accession Numbers

None

Metabolite Identification

Common Name

[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

Description

{[hydroxy({[hydroxy({[3-hydroxy-5-(4-hydroxy-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside triphosphates. These are pyrimidine nucleotides with a triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. Based on a literature review very few articles have been published on {[hydroxy({[hydroxy({[3-hydroxy-5-(4-hydroxy-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). [hydroxy-[[(2r,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] 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


  Mrv1533004241523452D          

 29 30  0  0  0  0            999 V2000
    0.1067    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.1152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    3.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    4.3527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    5.5902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    1.8053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401    0.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5251   -0.2280    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1925    0.2569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8576   -0.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0100   -0.8954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8305   -0.8092    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7442    0.0113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9167   -1.6297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6509   -0.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1359   -1.3904    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6208   -2.0579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8033   -0.9055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4684   -1.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248    0.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 12 29  1  0  0  0  0
M  END

HMDB0258118
     RDKit          3D
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]...
 46 47  0  0  0  0  0  0  0  0999 V2000
   -7.1814   -1.1567   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9853   -0.2809   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6932   -0.7657   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    0.0205   -0.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3049   -0.5076   -0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -1.5908    0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4922   -1.6861    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1153   -1.8872    1.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1596   -0.3824   -0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9967    0.2592    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564    1.4680   -0.3057 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6670    2.1457    0.5194 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.4175    3.1260   -0.3633 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1608    2.8992    1.9522 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7289    0.9093    0.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9885    0.8608   -0.1465 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.1025    1.7506    0.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578    1.5252   -1.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -0.7316   -0.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2085   -0.8034   -0.2625 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.7091   -0.7550   -1.6734 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6577   -2.2781    0.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8458    0.4706    0.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3016    0.3934   -0.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8022    1.3516   -0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8080    2.1195   -0.5238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0545    1.8817   -0.3367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1394    1.0810   -0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2979    1.5927   -0.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6448   -1.1456   -1.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8878   -2.2002   -0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9465   -0.7754    0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5754   -1.8298   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054   -1.0174   -1.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5080   -2.5411    0.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2728   -1.2395    1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3285   -2.5638   -0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850   -2.7662    1.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1114   -0.5780   -1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8220    0.3719    1.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747   -0.4142    0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864    3.8701    1.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9593    0.9893   -2.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0174   -2.9574    0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6646    0.8579    0.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2237    2.9097   -0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
  9 24  1  0
  4 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28  2  1  0
 24  5  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 14 42  1  0
 18 43  1  0
 22 44  1  0
 23 45  1  0
 27 46  1  0
M  END


  Mrv1533004241523452D          

 29 30  0  0  0  0            999 V2000
    0.1067    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.1152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    3.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    4.3527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    5.5902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    1.8053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401    0.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5251   -0.2280    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1925    0.2569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8576   -0.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0100   -0.8954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8305   -0.8092    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7442    0.0113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9167   -1.6297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6509   -0.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1359   -1.3904    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6208   -2.0579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8033   -0.9055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4684   -1.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248    0.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 12 29  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0258118

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=CN(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)

> <INCHI_KEY>
NHVNXKFIZYSCEB-UHFFFAOYSA-N

> <FORMULA>
C10H17N2O14P3

> <MOLECULAR_WEIGHT>
482.167

> <EXACT_MASS>
481.989264229

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
36.7144115315004

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[hydroxy({[hydroxy({[3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-0.09

> <JCHEM_LOGP>
-2.086216578666666

> <ALOGPS_LOGS>
-1.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.5314813591657925

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8952835615680885

> <JCHEM_PKA_STRONGEST_BASIC>
-3.24034425909658

> <JCHEM_POLAR_SURFACE_AREA>
238.68999999999994

> <JCHEM_REFRACTIVITY>
88.0307

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.78e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thymidine triphosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0258118
     RDKit          3D
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]...
 46 47  0  0  0  0  0  0  0  0999 V2000
   -7.1814   -1.1567   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9853   -0.2809   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6932   -0.7657   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    0.0205   -0.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3049   -0.5076   -0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -1.5908    0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4922   -1.6861    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1153   -1.8872    1.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1596   -0.3824   -0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9967    0.2592    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564    1.4680   -0.3057 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6670    2.1457    0.5194 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.4175    3.1260   -0.3633 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1608    2.8992    1.9522 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7289    0.9093    0.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9885    0.8608   -0.1465 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.1025    1.7506    0.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578    1.5252   -1.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -0.7316   -0.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2085   -0.8034   -0.2625 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.7091   -0.7550   -1.6734 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6577   -2.2781    0.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8458    0.4706    0.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3016    0.3934   -0.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8022    1.3516   -0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8080    2.1195   -0.5238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0545    1.8817   -0.3367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1394    1.0810   -0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2979    1.5927   -0.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6448   -1.1456   -1.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8878   -2.2002   -0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9465   -0.7754    0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5754   -1.8298   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054   -1.0174   -1.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5080   -2.5411    0.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2728   -1.2395    1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3285   -2.5638   -0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850   -2.7662    1.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1114   -0.5780   -1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8220    0.3719    1.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747   -0.4142    0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864    3.8701    1.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9593    0.9893   -2.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0174   -2.9574    0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6646    0.8579    0.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2237    2.9097   -0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
  9 24  1  0
  4 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28  2  1  0
 24  5  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 14 42  1  0
 18 43  1  0
 22 44  1  0
 23 45  1  0
 27 46  1  0
M  END

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       0.199   8.895   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.134   8.125   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.134   6.585   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -2.468   5.815   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -3.802   6.585   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -5.136   5.815   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      -3.802   8.125   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -2.468   8.895   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.468  10.435   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -2.468   4.275   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.222   3.370   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.698   1.905   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.238   1.905   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -3.714   3.370   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -4.143   0.659   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -5.675   0.820   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0      -6.580  -0.426   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      -7.826   0.480   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -5.334  -1.331   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -7.485  -1.671   0.000  0.00  0.00           O+0
HETATM   21  P   UNK     0      -9.017  -1.511   0.000  0.00  0.00           P+0
HETATM   22  O   UNK     0      -8.856   0.021   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -9.178  -3.042   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0     -10.548  -1.350   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0     -11.454  -2.595   0.000  0.00  0.00           P+0
HETATM   26  O   UNK     0     -12.359  -3.841   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0     -12.700  -1.690   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0     -10.208  -3.501   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -0.793   0.659   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    2    9                                                  
CONECT    9    8                                                            
CONECT   10    4   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   29                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13   10                                                       
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21   25                                                       
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25                                                            
CONECT   29   12                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   60    0
END

COMPND    HMDB0258118
HETATM    1  C1  UNL     1      -7.181  -1.157  -0.258  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.985  -0.281  -0.331  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.693  -0.766  -0.460  1.00  0.00           C  
HETATM    4  N1  UNL     1      -3.623   0.020  -0.526  1.00  0.00           N  
HETATM    5  C4  UNL     1      -2.305  -0.508  -0.659  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.014  -1.591   0.387  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.492  -1.686   0.244  1.00  0.00           C  
HETATM    8  O1  UNL     1       0.115  -1.887   1.464  1.00  0.00           O  
HETATM    9  C7  UNL     1      -0.160  -0.382  -0.403  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.997   0.259   0.290  1.00  0.00           C  
HETATM   11  O2  UNL     1       1.356   1.468  -0.306  1.00  0.00           O  
HETATM   12  P1  UNL     1       2.667   2.146   0.519  1.00  0.00           P  
HETATM   13  O3  UNL     1       3.418   3.126  -0.363  1.00  0.00           O  
HETATM   14  O4  UNL     1       2.161   2.899   1.952  1.00  0.00           O  
HETATM   15  O5  UNL     1       3.729   0.909   0.953  1.00  0.00           O  
HETATM   16  P2  UNL     1       4.988   0.861  -0.147  1.00  0.00           P  
HETATM   17  O6  UNL     1       6.103   1.751   0.406  1.00  0.00           O  
HETATM   18  O7  UNL     1       4.558   1.525  -1.645  1.00  0.00           O  
HETATM   19  O8  UNL     1       5.517  -0.732  -0.304  1.00  0.00           O  
HETATM   20  P3  UNL     1       7.209  -0.803  -0.262  1.00  0.00           P  
HETATM   21  O9  UNL     1       7.709  -0.755  -1.673  1.00  0.00           O  
HETATM   22  O10 UNL     1       7.658  -2.278   0.446  1.00  0.00           O  
HETATM   23  O11 UNL     1       7.846   0.471   0.621  1.00  0.00           O  
HETATM   24  O12 UNL     1      -1.302   0.393  -0.408  1.00  0.00           O  
HETATM   25  C9  UNL     1      -3.802   1.352  -0.464  1.00  0.00           C  
HETATM   26  O13 UNL     1      -2.808   2.120  -0.524  1.00  0.00           O  
HETATM   27  N2  UNL     1      -5.054   1.882  -0.337  1.00  0.00           N  
HETATM   28  C10 UNL     1      -6.139   1.081  -0.270  1.00  0.00           C  
HETATM   29  O14 UNL     1      -7.298   1.593  -0.152  1.00  0.00           O  
HETATM   30  H1  UNL     1      -7.645  -1.146  -1.287  1.00  0.00           H  
HETATM   31  H2  UNL     1      -6.888  -2.200  -0.077  1.00  0.00           H  
HETATM   32  H3  UNL     1      -7.946  -0.775   0.441  1.00  0.00           H  
HETATM   33  H4  UNL     1      -4.575  -1.830  -0.508  1.00  0.00           H  
HETATM   34  H5  UNL     1      -2.205  -1.017  -1.647  1.00  0.00           H  
HETATM   35  H6  UNL     1      -2.508  -2.541   0.136  1.00  0.00           H  
HETATM   36  H7  UNL     1      -2.273  -1.239   1.408  1.00  0.00           H  
HETATM   37  H8  UNL     1      -0.329  -2.564  -0.444  1.00  0.00           H  
HETATM   38  H9  UNL     1       0.585  -2.766   1.458  1.00  0.00           H  
HETATM   39  H10 UNL     1       0.111  -0.578  -1.469  1.00  0.00           H  
HETATM   40  H11 UNL     1       0.822   0.372   1.368  1.00  0.00           H  
HETATM   41  H12 UNL     1       1.875  -0.414   0.177  1.00  0.00           H  
HETATM   42  H13 UNL     1       2.386   3.870   1.944  1.00  0.00           H  
HETATM   43  H14 UNL     1       4.959   0.989  -2.395  1.00  0.00           H  
HETATM   44  H15 UNL     1       7.017  -2.957   0.130  1.00  0.00           H  
HETATM   45  H16 UNL     1       8.665   0.858   0.222  1.00  0.00           H  
HETATM   46  H17 UNL     1      -5.224   2.910  -0.286  1.00  0.00           H  
CONECT    1    2   30   31   32
CONECT    2    3    3   28
CONECT    3    4   33
CONECT    4    5   25
CONECT    5    6   24   34
CONECT    6    7   35   36
CONECT    7    8    9   37
CONECT    8   38
CONECT    9   10   24   39
CONECT   10   11   40   41
CONECT   11   12
CONECT   12   13   13   14   15
CONECT   14   42
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   43
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   44
CONECT   23   45
CONECT   25   26   26   27
CONECT   27   28   46
CONECT   28   29   29
END

HMDB0258118
     RDKit          3D
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]...
 46 47  0  0  0  0  0  0  0  0999 V2000
   -7.1814   -1.1567   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9853   -0.2809   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6932   -0.7657   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    0.0205   -0.5261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3049   -0.5076   -0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -1.5908    0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4922   -1.6861    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1153   -1.8872    1.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1596   -0.3824   -0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9967    0.2592    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564    1.4680   -0.3057 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6670    2.1457    0.5194 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.4175    3.1260   -0.3633 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1608    2.8992    1.9522 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7289    0.9093    0.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9885    0.8608   -0.1465 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.1025    1.7506    0.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578    1.5252   -1.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5167   -0.7316   -0.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2085   -0.8034   -0.2625 P   0  0  0  0  0  5  0  0  0  0  0  0
    7.7091   -0.7550   -1.6734 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6577   -2.2781    0.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8458    0.4706    0.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3016    0.3934   -0.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8022    1.3516   -0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8080    2.1195   -0.5238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0545    1.8817   -0.3367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1394    1.0810   -0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2979    1.5927   -0.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6448   -1.1456   -1.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8878   -2.2002   -0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9465   -0.7754    0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5754   -1.8298   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054   -1.0174   -1.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5080   -2.5411    0.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2728   -1.2395    1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3285   -2.5638   -0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850   -2.7662    1.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1114   -0.5780   -1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8220    0.3719    1.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747   -0.4142    0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864    3.8701    1.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9593    0.9893   -2.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0174   -2.9574    0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6646    0.8579    0.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2237    2.9097   -0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
  9 24  1  0
  4 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28  2  1  0
 24  5  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 14 42  1  0
 18 43  1  0
 22 44  1  0
 23 45  1  0
 27 46  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

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

Chemical Formula

C₁₀H₁₇N₂O₁₄P₃

Average Molecular Weight

482.167

Monoisotopic Molecular Weight

481.989264229

IUPAC Name

{[hydroxy({[hydroxy({[3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid

Traditional Name

thymidine triphosphate

CAS Registry Number

Not Available

SMILES

CC1=CN(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O

InChI Identifier

InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)

InChI Key

NHVNXKFIZYSCEB-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine deoxyribonucleotides

Direct Parent

Pyrimidine 2'-deoxyribonucleoside triphosphates

Alternative Parents

Substituents

Pyrimidine 2'-deoxyribonucleoside triphosphate
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Heteroaromatic compound
Vinylogous amide
Tetrahydrofuran
Lactam
Secondary alcohol
Urea
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Alcohol
Organic nitrogen 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	-0.09	ALOGPS
logP	-2.1	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	0.9	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	238.69 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	88.03 m³·mol⁻¹	ChemAxon
Polarizability	36.71 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]+	158.125	30932474
DeepCCS	[M-H]-	154.792	30932474
DeepCCS	[M-2H]-	190.595	30932474
DeepCCS	[M+Na]+	166.518	30932474
AllCCS	[M+H]+	194.5	32859911
AllCCS	[M+H-H2O]+	192.5	32859911
AllCCS	[M+NH4]+	196.4	32859911
AllCCS	[M+Na]+	196.9	32859911
AllCCS	[M-H]-	187.3	32859911
AllCCS	[M+Na-2H]-	187.8	32859911
AllCCS	[M+HCOO]-	188.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate	CC1=CN(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O	4539.2	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate	CC1=CN(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O	2572.8	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate	CC1=CN(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O	3903.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3665.6	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3643.4	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]C1=O	5489.4	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3703.0	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3730.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	5361.3	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3705.6	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3737.7	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	5710.1	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3654.9	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3652.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	5468.8	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3656.9	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3643.5	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	5542.3	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3686.7	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3621.4	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	5906.5	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #5	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3695.5	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #5	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3758.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #5	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	5253.2	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #6	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3699.4	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #6	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3748.0	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #6	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	5337.1	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #7	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3708.0	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #7	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3741.8	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #7	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	5660.5	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3685.0	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3759.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	5317.1	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3707.8	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3752.1	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	5647.2	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3629.7	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	3701.2	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4945.4	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3693.0	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3793.9	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	4894.2	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3643.2	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3802.6	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	5183.5	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #12	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3676.9	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #12	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3797.7	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #12	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	4878.1	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #13	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3642.9	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #13	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3810.6	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #13	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	5140.9	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #14	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3646.5	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #14	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3785.8	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #14	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	5198.8	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3638.1	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3691.1	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	5051.7	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3628.1	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3678.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	5297.8	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3626.9	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3703.2	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	5004.9	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #5	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3633.2	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #5	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3685.9	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #5	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	5247.6	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #6	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3636.4	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #6	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3677.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #6	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	5066.8	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #7	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3621.2	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #7	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3678.1	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #7	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	5351.4	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3669.4	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3820.7	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	4864.0	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3645.0	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3815.4	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	5084.4	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3633.4	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3745.6	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	4584.7	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3653.7	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3820.0	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	4763.5	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3645.8	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3822.4	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	4719.3	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3614.4	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	3739.0	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	4777.1	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3657.9	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3717.5	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	4649.1	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3612.5	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3725.9	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	4902.2	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #5	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3641.0	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #5	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3725.9	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #5	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	4599.9	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #6	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3616.2	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #6	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3737.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #6	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	4823.9	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #7	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3614.8	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #7	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3715.8	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #7	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	4917.8	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3698.0	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3845.6	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	4444.2	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3640.8	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3842.8	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,4TMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	4702.0	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3643.3	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	3746.1	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	4190.1	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3629.1	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3765.0	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	4414.7	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3641.8	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3734.2	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	4481.3	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3630.3	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3745.0	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	4427.5	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #5	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3668.2	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #5	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3845.9	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,5TMS,isomer #5	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	4280.7	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4128.4	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4017.1	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)[NH]C1=O	5576.0	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4132.6	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4091.6	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5507.9	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4113.8	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4110.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5709.5	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4117.9	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4023.1	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	5535.4	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4134.1	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4030.7	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5617.0	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4124.9	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4000.0	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5804.0	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #5	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4136.6	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #5	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4134.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #5	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	5387.3	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #6	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4137.2	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #6	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4130.5	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #6	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5480.2	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #7	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4119.5	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #7	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4110.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #7	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5673.5	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4133.3	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4136.6	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5431.2	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4118.1	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4117.7	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,2TBDMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5638.4	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4256.4	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	4195.6	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #1	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)[NH]C1=O	5071.5	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4275.3	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4271.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #10	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5065.3	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4255.3	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4293.2	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #11	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5277.3	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #12	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=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)O2)C(=O)[NH]C1=O	4260.6	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #12	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=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)O2)C(=O)[NH]C1=O	4274.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #12	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=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)O2)C(=O)[NH]C1=O	5019.1	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #13	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4248.7	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #13	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4304.6	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #13	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5201.1	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #14	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4252.5	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #14	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4257.0	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #14	CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5305.4	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4276.6	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4199.6	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #2	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5185.5	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4267.4	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4181.6	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #3	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5363.7	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4270.6	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4213.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #4	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5108.8	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #5	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4257.0	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #5	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4191.1	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #5	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5294.6	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #6	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4270.6	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #6	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4163.1	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #6	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	5217.6	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #7	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4261.4	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #7	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4193.3	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #7	CC1=CN(C2CC(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5396.8	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4262.4	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4321.4	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #8	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4979.7	Standard polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4259.7	Semi standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4300.0	Standard non polar	33892256
[Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate,3TBDMS,isomer #9	CC1=CN(C2CC(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5170.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9742300000-c721ba5109dede8a518b	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate GC-MS (TBDMS_1_5) - 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 - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate 10V, Positive-QTOF	splash10-004i-0900000000-947ab9bea7033e1d5085	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate 20V, Positive-QTOF	splash10-004i-3901000000-563919362145fb074c4f	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate 40V, Positive-QTOF	splash10-004i-4900000000-7122f723888b5ed5ca02	2015-05-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate 10V, Negative-QTOF	splash10-001r-1120900000-3866f8b4f3fba6f75342	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate 20V, Negative-QTOF	splash10-004i-9640100000-44c9ec15f8b59e15d980	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate 40V, Negative-QTOF	splash10-056r-9610000000-b7118312de6113dd88e1	2015-05-27	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

1119

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

1151

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 [Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate (HMDB0258118)

MOL for HMDB0258118 ([Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate)

3D MOL for HMDB0258118 ([Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate)

3D SDF for HMDB0258118 ([Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate)

3D-SDF for HMDB0258118 ([Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate)

PDB for HMDB0258118 ([Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate)

3D PDB for HMDB0258118 ([Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate)

SMILES for HMDB0258118 ([Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate)

INCHI for HMDB0258118 ([Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate)

Structure for HMDB0258118 ([Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate)

3D Structure for HMDB0258118 ([Hydroxy-[[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra