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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2014-06-23 12:04:06 UTC

Update Date

2021-09-14 15:48:16 UTC

HMDB ID

HMDB0061723

Secondary Accession Numbers

HMDB61723

Metabolite Identification

Common Name

Carbovir Triphosphate

Description

Carbovir Triphosphate, also known as CBV-TP, belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others. Carbovir Triphosphate is a moderately basic compound (based on its pKa). The organic triphosphate that is the 5'-triphosphate of (-)-carbovir. In humans, carbovir triphosphate is involved in abacavir action pathway.

Structure

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

  Mrv0541 06231405042D          

 30 32  0  0  0  0            999 V2000
    2.4873    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4873    1.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691   -0.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    1.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0681    1.1705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691    1.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0681    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7594    0.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2531   -1.6246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9934   -2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1757   -2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5869   -1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3455   -0.0497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9248   -1.6246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5272   -1.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1373   -1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1872   -1.5064    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1872   -0.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9016   -1.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263   -2.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6161   -1.5064    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3306   -1.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451   -1.5064    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6161   -0.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451   -0.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7595   -1.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8315   -2.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026   -2.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 16 18  1  1  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
 12 16  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 23 30  1  0  0  0  0
M  END

HMDB0061723
     RDKit          3D
Carbovir Triphosphate
 46 48  0  0  0  0  0  0  0  0999 V2000
   -5.1116    2.8972   -1.4798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3227    1.7413   -0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2472    1.0399   -0.2511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4382   -0.0773    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7488   -0.4838    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5934   -1.6030    1.4954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -1.8701    1.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5829   -0.9203    1.0361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1484   -1.0004    0.9666 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8216   -2.1406    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161   -1.8723   -0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2043   -0.5328   -0.1090 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7620    0.0548   -1.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6627   -1.0509   -1.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0428   -0.9278   -0.3603 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3517    0.4376    0.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8124   -2.0095    1.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3679   -1.5667   -1.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7261   -0.5700   -0.9766 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.9416   -1.4274   -1.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7119    0.6608   -2.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8471    0.0847    0.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0080    1.3371    0.4315 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.6951    2.0895   -0.8507 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9076    2.4374    1.6847 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5733    0.7211    0.2925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4908    0.1458    0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8331    0.2536    0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9928   -0.1459    0.5631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5858    1.3546   -0.4355 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7659    2.9089   -2.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3343    3.8364   -1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9131   -2.6857    2.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6413   -1.1354    1.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444   -2.9966   -0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -2.4402   -1.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3282   -0.6566    0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365    0.9321   -0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3246    0.2387   -2.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0557   -1.4910    1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7233    0.8310   -2.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7473    2.4506    2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5775   -0.1215   -0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441    1.0857    0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0661    0.3087   -0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4441    1.8783   -0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 12 27  1  0
  5 28  1  0
 28 29  2  0
 28 30  1  0
 30  2  1  0
  8  4  1  0
 27  9  1  0
  1 31  1  0
  1 32  1  0
  7 33  1  0
  9 34  1  1
 10 35  1  0
 11 36  1  0
 12 37  1  1
 13 38  1  0
 13 39  1  0
 17 40  1  0
 21 41  1  0
 25 42  1  0
 26 43  1  0
 27 44  1  0
 27 45  1  0
 30 46  1  0
M  END

  Mrv0541 06231405042D          

 30 32  0  0  0  0            999 V2000
    2.4873    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4873    1.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    0.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691   -0.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    1.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0681    1.1705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691    1.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0681    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7594    0.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2531   -1.6246    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9934   -2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1757   -2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5869   -1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3455   -0.0497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9248   -1.6246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5272   -1.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1373   -1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1872   -1.5064    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1872   -0.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9016   -1.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263   -2.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6161   -1.5064    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3306   -1.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451   -1.5064    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6161   -0.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451   -0.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7595   -1.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8315   -2.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026   -2.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  7  2  0  0  0  0
 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 18  1  0  0  0  0
 16 18  1  1  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
 12 16  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 23 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0061723

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC2=C(N=CN2[C@@H]2C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C11H16N5O11P3/c12-11-14-9-8(10(17)15-11)13-5-16(9)7-2-1-6(3-7)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-7H,3-4H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t6-,7+/m1/s1

> <INCHI_KEY>
CQCAEOCIDCCJDQ-RQJHMYQMSA-N

> <FORMULA>
C11H16N5O11P3

> <MOLECULAR_WEIGHT>
487.1929

> <EXACT_MASS>
487.005915915

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
38.03688644613599

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
({[({[(1S,4R)-4-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)cyclopent-2-en-1-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

> <ALOGPS_LOGP>
0.00

> <JCHEM_LOGP>
-1.7874051969614428

> <ALOGPS_LOGS>
-2.10

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.5893157433602916

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8423537119002158

> <JCHEM_PKA_STRONGEST_BASIC>
1.7202287716661877

> <JCHEM_POLAR_SURFACE_AREA>
245.11999999999995

> <JCHEM_REFRACTIVITY>
99.31629999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.83e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbovir triphosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0061723
     RDKit          3D
Carbovir Triphosphate
 46 48  0  0  0  0  0  0  0  0999 V2000
   -5.1116    2.8972   -1.4798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3227    1.7413   -0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2472    1.0399   -0.2511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4382   -0.0773    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7488   -0.4838    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5934   -1.6030    1.4954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -1.8701    1.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5829   -0.9203    1.0361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1484   -1.0004    0.9666 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8216   -2.1406    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161   -1.8723   -0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2043   -0.5328   -0.1090 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7620    0.0548   -1.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6627   -1.0509   -1.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0428   -0.9278   -0.3603 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3517    0.4376    0.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8124   -2.0095    1.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3679   -1.5667   -1.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7261   -0.5700   -0.9766 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.9416   -1.4274   -1.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7119    0.6608   -2.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8471    0.0847    0.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0080    1.3371    0.4315 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.6951    2.0895   -0.8507 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9076    2.4374    1.6847 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5733    0.7211    0.2925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4908    0.1458    0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8331    0.2536    0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9928   -0.1459    0.5631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5858    1.3546   -0.4355 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7659    2.9089   -2.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3343    3.8364   -1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9131   -2.6857    2.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6413   -1.1354    1.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444   -2.9966   -0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -2.4402   -1.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3282   -0.6566    0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365    0.9321   -0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3246    0.2387   -2.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0557   -1.4910    1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7233    0.8310   -2.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7473    2.4506    2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5775   -0.1215   -0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441    1.0857    0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0661    0.3087   -0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4441    1.8783   -0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 12 27  1  0
  5 28  1  0
 28 29  2  0
 28 30  1  0
 30  2  1  0
  8  4  1  0
 27  9  1  0
  1 31  1  0
  1 32  1  0
  7 33  1  0
  9 34  1  1
 10 35  1  0
 11 36  1  0
 12 37  1  1
 13 38  1  0
 13 39  1  0
 17 40  1  0
 21 41  1  0
 25 42  1  0
 26 43  1  0
 27 44  1  0
 27 45  1  0
 30 46  1  0
M  END

HEADER    PROTEIN                                 23-JUN-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-JUN-14         0                                  
HETATM    1  C   UNK     0       4.643   0.650   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.643   2.209   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       6.121   0.174   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0       3.302  -0.117   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0       6.121   2.686   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0       1.994   2.185   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       3.302   2.976   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.994   0.650   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.018   1.450   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.072  -3.033   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.588  -4.511   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.061  -4.511   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.326   4.511   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.829  -2.136   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       0.645  -0.093   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       3.593  -3.033   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.984  -3.582   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.123  -2.572   0.000  0.00  0.00           C+0
HETATM   19  P   UNK     0      -0.349  -2.812   0.000  0.00  0.00           P+0
HETATM   20  O   UNK     0      -0.349  -1.272   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -1.683  -3.582   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.049  -4.299   0.000  0.00  0.00           O+0
HETATM   23  P   UNK     0      -3.017  -2.812   0.000  0.00  0.00           P+0
HETATM   24  O   UNK     0      -4.350  -3.582   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0      -5.684  -2.812   0.000  0.00  0.00           P+0
HETATM   26  O   UNK     0      -3.017  -1.272   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -5.684  -1.272   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -7.018  -3.582   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -5.285  -4.299   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.618  -4.299   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    7                                                  
CONECT    3    1    9   10                                                  
CONECT    4    1    8                                                       
CONECT    5    2    9                                                       
CONECT    6    8    7                                                       
CONECT    7    2   13    6                                                  
CONECT    8    6    4   15                                                  
CONECT    9    3    5                                                       
CONECT   10    3   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11   16                                                       
CONECT   13    7                                                            
CONECT   14   10   16                                                       
CONECT   15    8                                                            
CONECT   16   14   18   12                                                  
CONECT   17   18   19                                                       
CONECT   18   17   16                                                       
CONECT   19   17   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19   23                                                       
CONECT   22   19                                                            
CONECT   23   21   24   26   30                                             
CONECT   24   23   25                                                       
CONECT   25   24   27   28   29                                             
CONECT   26   23                                                            
CONECT   27   25                                                            
CONECT   28   25                                                            
CONECT   29   25                                                            
CONECT   30   23                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   64    0
END

COMPND    HMDB0061723
HETATM    1  N1  UNL     1      -5.112   2.897  -1.480  1.00  0.00           N  
HETATM    2  C1  UNL     1      -5.323   1.741  -0.708  1.00  0.00           C  
HETATM    3  N2  UNL     1      -4.247   1.040  -0.251  1.00  0.00           N  
HETATM    4  C2  UNL     1      -4.438  -0.077   0.486  1.00  0.00           C  
HETATM    5  C3  UNL     1      -5.749  -0.484   0.763  1.00  0.00           C  
HETATM    6  N3  UNL     1      -5.593  -1.603   1.495  1.00  0.00           N  
HETATM    7  C4  UNL     1      -4.321  -1.870   1.668  1.00  0.00           C  
HETATM    8  N4  UNL     1      -3.583  -0.920   1.036  1.00  0.00           N  
HETATM    9  C5  UNL     1      -2.148  -1.000   0.967  1.00  0.00           C  
HETATM   10  C6  UNL     1      -1.822  -2.141   0.004  1.00  0.00           C  
HETATM   11  C7  UNL     1      -0.716  -1.872  -0.612  1.00  0.00           C  
HETATM   12  C8  UNL     1      -0.204  -0.533  -0.109  1.00  0.00           C  
HETATM   13  C9  UNL     1       0.762   0.055  -1.098  1.00  0.00           C  
HETATM   14  O1  UNL     1       1.663  -1.051  -1.245  1.00  0.00           O  
HETATM   15  P1  UNL     1       3.043  -0.928  -0.360  1.00  0.00           P  
HETATM   16  O2  UNL     1       3.352   0.438   0.189  1.00  0.00           O  
HETATM   17  O3  UNL     1       2.812  -2.009   1.008  1.00  0.00           O  
HETATM   18  O4  UNL     1       4.368  -1.567  -1.134  1.00  0.00           O  
HETATM   19  P2  UNL     1       5.726  -0.570  -0.977  1.00  0.00           P  
HETATM   20  O5  UNL     1       6.942  -1.427  -1.221  1.00  0.00           O  
HETATM   21  O6  UNL     1       5.712   0.661  -2.110  1.00  0.00           O  
HETATM   22  O7  UNL     1       5.847   0.085   0.563  1.00  0.00           O  
HETATM   23  P3  UNL     1       7.008   1.337   0.431  1.00  0.00           P  
HETATM   24  O8  UNL     1       6.695   2.090  -0.851  1.00  0.00           O  
HETATM   25  O9  UNL     1       6.908   2.437   1.685  1.00  0.00           O  
HETATM   26  O10 UNL     1       8.573   0.721   0.293  1.00  0.00           O  
HETATM   27  C10 UNL     1      -1.491   0.146   0.162  1.00  0.00           C  
HETATM   28  C11 UNL     1      -6.833   0.254   0.289  1.00  0.00           C  
HETATM   29  O11 UNL     1      -7.993  -0.146   0.563  1.00  0.00           O  
HETATM   30  N5  UNL     1      -6.586   1.355  -0.436  1.00  0.00           N  
HETATM   31  H1  UNL     1      -4.766   2.909  -2.490  1.00  0.00           H  
HETATM   32  H2  UNL     1      -5.334   3.836  -1.044  1.00  0.00           H  
HETATM   33  H3  UNL     1      -3.913  -2.686   2.245  1.00  0.00           H  
HETATM   34  H4  UNL     1      -1.641  -1.135   1.894  1.00  0.00           H  
HETATM   35  H5  UNL     1      -2.444  -2.997  -0.096  1.00  0.00           H  
HETATM   36  H6  UNL     1      -0.191  -2.440  -1.360  1.00  0.00           H  
HETATM   37  H7  UNL     1       0.328  -0.657   0.859  1.00  0.00           H  
HETATM   38  H8  UNL     1       1.236   0.932  -0.697  1.00  0.00           H  
HETATM   39  H9  UNL     1       0.325   0.239  -2.076  1.00  0.00           H  
HETATM   40  H10 UNL     1       3.056  -1.491   1.797  1.00  0.00           H  
HETATM   41  H11 UNL     1       4.723   0.831  -2.298  1.00  0.00           H  
HETATM   42  H12 UNL     1       7.747   2.451   2.210  1.00  0.00           H  
HETATM   43  H13 UNL     1       8.577  -0.121  -0.239  1.00  0.00           H  
HETATM   44  H14 UNL     1      -1.444   1.086   0.745  1.00  0.00           H  
HETATM   45  H15 UNL     1      -2.066   0.309  -0.790  1.00  0.00           H  
HETATM   46  H16 UNL     1      -7.444   1.878  -0.805  1.00  0.00           H  
CONECT    1    2   31   32
CONECT    2    3    3   30
CONECT    3    4
CONECT    4    5    5    8
CONECT    5    6   28
CONECT    6    7    7
CONECT    7    8   33
CONECT    8    9
CONECT    9   10   27   34
CONECT   10   11   11   35
CONECT   11   12   36
CONECT   12   13   27   37
CONECT   13   14   38   39
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   40
CONECT   18   19
CONECT   19   20   20   21   22
CONECT   21   41
CONECT   22   23
CONECT   23   24   24   25   26
CONECT   25   42
CONECT   26   43
CONECT   27   44   45
CONECT   28   29   29   30
CONECT   30   46
END

HMDB0061723
     RDKit          3D
Carbovir Triphosphate
 46 48  0  0  0  0  0  0  0  0999 V2000
   -5.1116    2.8972   -1.4798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3227    1.7413   -0.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2472    1.0399   -0.2511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4382   -0.0773    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7488   -0.4838    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5934   -1.6030    1.4954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3208   -1.8701    1.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5829   -0.9203    1.0361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1484   -1.0004    0.9666 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8216   -2.1406    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161   -1.8723   -0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2043   -0.5328   -0.1090 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7620    0.0548   -1.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6627   -1.0509   -1.2453 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0428   -0.9278   -0.3603 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.3517    0.4376    0.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8124   -2.0095    1.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3679   -1.5667   -1.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7261   -0.5700   -0.9766 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.9416   -1.4274   -1.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7119    0.6608   -2.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8471    0.0847    0.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0080    1.3371    0.4315 P   0  0  0  0  0  5  0  0  0  0  0  0
    6.6951    2.0895   -0.8507 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9076    2.4374    1.6847 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5733    0.7211    0.2925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4908    0.1458    0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8331    0.2536    0.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9928   -0.1459    0.5631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5858    1.3546   -0.4355 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7659    2.9089   -2.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3343    3.8364   -1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9131   -2.6857    2.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6413   -1.1354    1.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444   -2.9966   -0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -2.4402   -1.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3282   -0.6566    0.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365    0.9321   -0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3246    0.2387   -2.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0557   -1.4910    1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7233    0.8310   -2.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7473    2.4506    2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5775   -0.1215   -0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441    1.0857    0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0661    0.3087   -0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4441    1.8783   -0.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 12 27  1  0
  5 28  1  0
 28 29  2  0
 28 30  1  0
 30  2  1  0
  8  4  1  0
 27  9  1  0
  1 31  1  0
  1 32  1  0
  7 33  1  0
  9 34  1  1
 10 35  1  0
 11 36  1  0
 12 37  1  1
 13 38  1  0
 13 39  1  0
 17 40  1  0
 21 41  1  0
 25 42  1  0
 26 43  1  0
 27 44  1  0
 27 45  1  0
 30 46  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(-)-Carbovir 5'-triphosphate	ChEBI
(-)-Carbovir triphosphate	ChEBI
(1S-cis)-Triphosphoric acid, p-((4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl) ester	ChEBI
Carbovir 5'-triphosphate	ChEBI
(-)-Carbovir 5'-triphosphoric acid	Generator
(-)-Carbovir triphosphoric acid	Generator
(1S-cis)-Triphosphate, p-((4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl) ester	Generator
Carbovir 5'-triphosphoric acid	Generator
Carbovir triphosphoric acid	Generator
CBV-TP	HMDB

Chemical Formula

C₁₁H₁₆N₅O₁₁P₃

Average Molecular Weight

487.1929

Monoisotopic Molecular Weight

487.005915915

IUPAC Name

({[({[(1S,4R)-4-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)cyclopent-2-en-1-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid

Traditional Name

carbovir triphosphate

CAS Registry Number

Not Available

SMILES

NC1=NC2=C(N=CN2[C@@H]2C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)C(=O)N1

InChI Identifier

InChI=1S/C11H16N5O11P3/c12-11-14-9-8(10(17)15-11)13-5-16(9)7-2-1-6(3-7)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5-7H,3-4H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t6-,7+/m1/s1

InChI Key

CQCAEOCIDCCJDQ-RQJHMYQMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Nucleoside and nucleotide analogues

Sub Class

Not Available

Direct Parent

Nucleoside and nucleotide analogues

Alternative Parents

Substituents

6-oxopurine
Hypoxanthine
Imidazopyrimidine
Purine
Aminopyrimidine
Pyrimidone
Monoalkyl phosphate
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Imidazole
Heteroaromatic compound
Azole
Vinylogous amide
Azacycle
Organoheterocyclic compound
Amine
Primary amine
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organic triphosphate (CHEBI:64174 )

Ontology

Not Available

Exogenous (HMDB: HMDB0061723)

Process

Naturally occurring process

Biological process

Biochemical pathway

Drug action pathway

Abacavir Action Pathway (PathBank: SMP0000737)

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
Water Solubility	3.83 g/L	ALOGPS
logP	0	ALOGPS
logP	-1.8	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	0.84	ChemAxon
pKa (Strongest Basic)	1.72	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	245.12 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	99.32 m³·mol⁻¹	ChemAxon
Polarizability	38.04 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	205.809	31661259
DarkChem	[M-H]-	198.321	31661259
DeepCCS	[M+H]+	174.35	30932474
DeepCCS	[M-H]-	171.202	30932474
DeepCCS	[M-2H]-	206.795	30932474
DeepCCS	[M+Na]+	182.451	30932474
AllCCS	[M+H]+	196.0	32859911
AllCCS	[M+H-H2O]+	194.1	32859911
AllCCS	[M+NH4]+	197.7	32859911
AllCCS	[M+Na]+	198.2	32859911
AllCCS	[M-H]-	186.8	32859911
AllCCS	[M+Na-2H]-	187.0	32859911
AllCCS	[M+HCOO]-	187.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Carbovir Triphosphate	NC1=NC2=C(N=CN2[C@@H]2C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)C(=O)N1	4649.3	Standard polar	33892256
Carbovir Triphosphate	NC1=NC2=C(N=CN2[C@@H]2C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)C(=O)N1	2660.3	Standard non polar	33892256
Carbovir Triphosphate	NC1=NC2=C(N=CN2[C@@H]2C[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)C(=O)N1	4592.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Carbovir Triphosphate,1TMS,isomer #1	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	3965.5	Semi standard non polar	33892256
Carbovir Triphosphate,1TMS,isomer #1	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	3807.0	Standard non polar	33892256
Carbovir Triphosphate,1TMS,isomer #1	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	6583.0	Standard polar	33892256
Carbovir Triphosphate,1TMS,isomer #2	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3966.6	Semi standard non polar	33892256
Carbovir Triphosphate,1TMS,isomer #2	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3829.4	Standard non polar	33892256
Carbovir Triphosphate,1TMS,isomer #2	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	6667.8	Standard polar	33892256
Carbovir Triphosphate,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3953.3	Semi standard non polar	33892256
Carbovir Triphosphate,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3814.7	Standard non polar	33892256
Carbovir Triphosphate,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	6610.5	Standard polar	33892256
Carbovir Triphosphate,1TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	3912.1	Semi standard non polar	33892256
Carbovir Triphosphate,1TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	3877.3	Standard non polar	33892256
Carbovir Triphosphate,1TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	6845.7	Standard polar	33892256
Carbovir Triphosphate,1TMS,isomer #5	C[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C1=O	3972.0	Semi standard non polar	33892256
Carbovir Triphosphate,1TMS,isomer #5	C[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C1=O	3812.2	Standard non polar	33892256
Carbovir Triphosphate,1TMS,isomer #5	C[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C1=O	7106.7	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #1	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3882.1	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #1	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3828.9	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #1	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	6070.7	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	3913.7	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	3821.0	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	6477.5	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #11	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1)[Si](C)(C)C	3883.2	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #11	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1)[Si](C)(C)C	3924.8	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #11	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1)[Si](C)(C)C	6426.4	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	3911.1	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	3900.4	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	6474.8	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #2	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C	3869.9	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #2	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C	3816.8	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #2	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C	6062.3	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	3865.6	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	3892.1	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	6127.1	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O)O	3925.3	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O)O	3821.5	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O)O	6453.3	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3867.8	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3837.1	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	6106.6	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	3848.8	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	3909.0	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	6141.5	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #7	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	3922.5	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #7	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	3836.3	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #7	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	6520.5	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3870.3	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3799.8	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	6103.5	Standard polar	33892256
Carbovir Triphosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	3841.4	Semi standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	3899.9	Standard non polar	33892256
Carbovir Triphosphate,2TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	6173.3	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #1	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C	3808.0	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #1	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C	3810.6	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #1	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C	5698.1	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	3794.1	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	3891.1	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	5665.3	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	3827.1	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	3820.0	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #11	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	6078.6	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #12	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	3838.1	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #12	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	3967.0	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #12	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	5793.5	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	3868.2	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	3901.8	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	5881.6	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)[NH]1	3798.6	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)[NH]1	3864.0	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)[NH]1	5705.6	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #15	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	3832.7	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #15	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	3790.4	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #15	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	6079.0	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #16	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	3836.5	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #16	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	3950.7	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #16	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	5871.1	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3852.3	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3897.0	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #17	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	5941.6	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #18	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	3907.2	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #18	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	3988.8	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #18	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	6132.9	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	3815.7	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	3892.9	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	5612.5	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #3	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3849.0	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #3	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3823.9	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #3	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	6046.8	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3816.4	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3777.6	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5730.1	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	3799.6	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	3878.2	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	5681.0	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)O[Si](C)(C)C	3835.7	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)O[Si](C)(C)C	3810.0	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)O[Si](C)(C)C	6048.9	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	3854.7	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	3945.7	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	5820.9	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	3866.9	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	3894.6	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	5895.1	Standard polar	33892256
Carbovir Triphosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3813.9	Semi standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3784.9	Standard non polar	33892256
Carbovir Triphosphate,3TMS,isomer #9	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	5737.8	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #1	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3783.7	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #1	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3725.3	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #1	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5363.3	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #10	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O)O	3878.0	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #10	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O)O	3982.4	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #10	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O)O	5601.6	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)[NH]1	3808.9	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)[NH]1	3834.5	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)[NH]1	5240.9	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	3818.1	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	3753.1	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1	5729.8	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	3811.2	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	3964.9	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #13	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	5351.4	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3844.2	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3869.8	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #14	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	5444.6	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	3874.5	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	3995.4	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #15	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	5553.5	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #16	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	3818.0	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #16	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	3927.8	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #16	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	5426.7	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #17	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3846.5	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #17	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3845.4	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #17	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	5518.1	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	3873.8	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	3991.0	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	5644.7	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	3807.2	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	3856.2	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)[NH]1	5214.9	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)O[Si](C)(C)C	3816.0	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)O[Si](C)(C)C	3773.6	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)O[Si](C)(C)C	5697.5	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3815.0	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3959.1	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	5303.9	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	3860.5	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	3867.9	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C	5396.9	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)[NH]1	3807.9	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)[NH]1	3829.0	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)[NH]1	5277.2	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3826.8	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3748.1	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5738.7	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)O[Si](C)(C)C	3819.4	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)O[Si](C)(C)C	3946.7	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)O[Si](C)(C)C	5408.9	Standard polar	33892256
Carbovir Triphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3844.7	Semi standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3858.1	Standard non polar	33892256
Carbovir Triphosphate,4TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	5499.4	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](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)C2)C(=O)[NH]1	3855.1	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](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)C2)C(=O)[NH]1	3782.4	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](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)C2)C(=O)[NH]1	4786.1	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3880.1	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3798.7	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #10	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	5024.6	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #11	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	3881.2	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #11	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	3974.6	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #11	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	5144.2	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	3885.9	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	3944.4	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #12	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1	5250.2	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #2	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3849.3	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #2	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3703.0	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #2	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	5370.9	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)O[Si](C)(C)C	3839.6	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)O[Si](C)(C)C	3921.4	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)O[Si](C)(C)C	4914.7	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3879.0	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3823.9	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	5005.0	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3885.6	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3970.2	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	5105.4	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #6	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3849.8	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #6	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3891.2	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #6	C[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4986.9	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3882.3	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	3795.2	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C2)C(=O)N1[Si](C)(C)C	5076.4	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1)O[Si](C)(C)C	3885.7	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1)O[Si](C)(C)C	3960.2	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C1)O[Si](C)(C)C	5232.0	Standard polar	33892256
Carbovir Triphosphate,5TMS,isomer #9	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	3846.0	Semi standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #9	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	3903.1	Standard non polar	33892256
Carbovir Triphosphate,5TMS,isomer #9	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C1	4932.2	Standard polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	4187.7	Semi standard non polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	3962.2	Standard non polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	6643.9	Standard polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	4187.2	Semi standard non polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3977.2	Standard non polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	6726.2	Standard polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	4181.6	Semi standard non polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	3971.4	Standard non polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	6665.3	Standard polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	4121.2	Semi standard non polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	4038.3	Standard non polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	6723.0	Standard polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C1=O	4173.4	Semi standard non polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C1=O	3974.0	Standard non polar	33892256
Carbovir Triphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C1=O	6946.6	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4298.4	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4106.2	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	6172.9	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	4300.9	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	4145.0	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	6469.9	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	4267.9	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	4259.1	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	6309.7	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C	4335.9	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C	4226.0	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C	6344.8	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C(C)(C)C	4283.8	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C(C)(C)C	4104.4	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C(C)(C)C	6170.9	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	4246.3	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	4206.3	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)[NH]1	6178.5	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O)O	4312.5	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O)O	4138.0	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1)OP(=O)(O)OP(=O)(O)O	6454.6	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	4283.2	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	4116.2	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	6197.7	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	4251.4	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	4222.7	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	6178.5	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	4311.5	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	4148.2	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	6503.4	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	4283.7	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	4071.7	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	6222.3	Standard polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	4235.6	Semi standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	4222.6	Standard non polar	33892256
Carbovir Triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	6216.3	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C(C)(C)C	4357.1	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C(C)(C)C	4191.4	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)O[Si](C)(C)C(C)(C)C	5801.2	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	4375.0	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	4348.4	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	5763.9	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	4439.2	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	4263.0	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	6119.1	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C1	4369.0	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C1	4427.1	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C1	5821.2	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C	4458.3	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C	4373.2	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C	5909.9	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	4377.6	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	4303.2	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	5850.2	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	4440.0	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	4223.9	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1	6168.8	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C1	4356.0	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C1	4424.2	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C1	5904.8	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)N1[Si](C)(C)C(C)(C)C	4462.3	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)N1[Si](C)(C)C(C)(C)C	4375.4	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)N1[Si](C)(C)C(C)(C)C	5980.2	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4443.3	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4457.6	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	6074.0	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	4382.9	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	4335.1	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)C2)C(=O)[NH]1	5727.0	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4437.8	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4251.6	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	6093.9	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4374.5	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4151.5	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5871.0	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	4372.5	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	4335.9	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C2)C(=O)[NH]1	5813.6	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1)O[Si](C)(C)C(C)(C)C	4435.1	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1)O[Si](C)(C)C(C)(C)C	4254.0	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C1)O[Si](C)(C)C(C)(C)C	6125.1	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	4368.4	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	4409.5	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C1)OP(=O)(O)OP(=O)(O)O	5870.4	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C	4463.6	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C	4362.2	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C=C[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)C2)C(=O)N1[Si](C)(C)C(C)(C)C	5948.0	Standard polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	4364.4	Semi standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	4156.3	Standard non polar	33892256
Carbovir Triphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1C=C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)C1	5856.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Carbovir Triphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-054k-8894300000-53bc51e3a99497bf3809	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carbovir Triphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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 - Carbovir Triphosphate 10V, Positive-QTOF	splash10-001r-2393800000-f37602c7de86b31d650c	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbovir Triphosphate 20V, Positive-QTOF	splash10-001i-1290000000-fccbb1906a5586a4a9f3	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbovir Triphosphate 40V, Positive-QTOF	splash10-001j-9881000000-96a600888a7c1745af51	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbovir Triphosphate 10V, Negative-QTOF	splash10-000i-0040900000-5e173b4603630bf145dd	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbovir Triphosphate 20V, Negative-QTOF	splash10-03fr-9220000000-a0c27024df7d6e4d2c5f	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbovir Triphosphate 40V, Negative-QTOF	splash10-056r-9400000000-16be0451d6d2e18b72f2	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbovir Triphosphate 10V, Negative-QTOF	splash10-000i-0001900000-23142224916fd1f7b9a3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbovir Triphosphate 20V, Negative-QTOF	splash10-004i-9400500000-f2dc0add16e6c24b85bd	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbovir Triphosphate 40V, Negative-QTOF	splash10-004i-9102000000-012aa386d78395d5fd75	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbovir Triphosphate 10V, Positive-QTOF	splash10-0udi-0900200000-f1e1561751cc83d82600	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbovir Triphosphate 20V, Positive-QTOF	splash10-0udr-0903600000-30241df544679ce9c065	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carbovir Triphosphate 40V, Positive-QTOF	splash10-0udi-0920000000-d444d8a0aa2fa159330e	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Abacavir Action Pathway		Not Available

Normal Concentrations

Not Available

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

452506

PDB ID

Not Available

ChEBI ID

64174

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

Kewn S, Hoggard PG, Sales SD, Jones K, Maher B, Khoo SH, Back DJ: Development of enzymatic assays for quantification of intracellular lamivudine and carbovir triphosphate levels in peripheral blood mononuclear cells from human immunodeficiency virus-infected patients. Antimicrob Agents Chemother. 2002 Jan;46(1):135-43. [PubMed:11751124 ]
Harris M, Back D, Kewn S, Jutha S, Marina R, Montaner JS: Intracellular carbovir triphosphate levels in patients taking abacavir once a day. AIDS. 2002 May 24;16(8):1196-7. [PubMed:12004286 ]
Miller WH, Daluge SM, Garvey EP, Hopkins S, Reardon JE, Boyd FL, Miller RL: Phosphorylation of carbovir enantiomers by cellular enzymes determines the stereoselectivity of antiviral activity. J Biol Chem. 1992 Oct 15;267(29):21220-4. [PubMed:1383219 ]
Cai Z, Fung EN, Sinhababu AK: Capillary electrophoresis-ion trap mass spectrometry analysis of Ziagen and its phosphorylated metabolites. Electrophoresis. 2003 Sep;24(18):3160-4. [PubMed:14518039 ]
Pruvost A, Theodoro F, Agrofoglio L, Negredo E, Benech H: Specificity enhancement with LC-positive ESI-MS/MS for the measurement of nucleotides: application to the quantitative determination of carbovir triphosphate, lamivudine triphosphate and tenofovir diphosphate in human peripheral blood mononuclear cells. J Mass Spectrom. 2008 Feb;43(2):224-33. [PubMed:17935070 ]
Moyle G, Boffito M, Fletcher C, Higgs C, Hay PE, Song IH, Lou Y, Yuen GJ, Min SS, Guerini EM: Steady-state pharmacokinetics of abacavir in plasma and intracellular carbovir triphosphate following administration of abacavir at 600 milligrams once daily and 300 milligrams twice daily in human immunodeficiency virus-infected subjects. Antimicrob Agents Chemother. 2009 Apr;53(4):1532-8. doi: 10.1128/AAC.01000-08. Epub 2009 Feb 2. [PubMed:19188387 ]
Goicoechea M, Jain S, Bi L, Sun S, Smith G, Ha B, Richman D, Louie S, Haubrich R: Interlaboratory measurement differences in intracellular carbovir triphosphate concentrations in HIV-infected patients: sources of variability in processing, shipping, and quantitation. J Clin Pharmacol. 2010 Aug;50(8):968-74. doi: 10.1177/0091270009352186. Epub 2009 Dec 1. [PubMed:19952374 ]
Jackson A, Moyle G, Dickinson L, Back D, Khoo S, Taylor J, Gedela K, Abongomera G, Gazzard B, Boffito M: Pharmacokinetics of abacavir and its anabolite carbovir triphosphate without and with darunavir/ritonavir or raltegravir in HIV-infected subjects. Antivir Ther. 2012;17(1):19-24. doi: 10.3851/IMP1910. [PubMed:22267465 ]
White EL, Parker WB, Macy LJ, Shaddix SC, McCaleb G, Secrist JA 3rd, Vince R, Shannon WM: Comparison of the effect of Carbovir, AZT, and dideoxynucleoside triphosphates on the activity of human immunodeficiency virus reverse transcriptase and selected human polymerases. Biochem Biophys Res Commun. 1989 Jun 15;161(2):393-8. [PubMed:2472136 ]

Showing metabocard for Carbovir Triphosphate (HMDB0061723)

MOL for HMDB0061723 (Carbovir Triphosphate)

3D MOL for HMDB0061723 (Carbovir Triphosphate)

3D SDF for HMDB0061723 (Carbovir Triphosphate)

3D-SDF for HMDB0061723 (Carbovir Triphosphate)

PDB for HMDB0061723 (Carbovir Triphosphate)

3D PDB for HMDB0061723 (Carbovir Triphosphate)

SMILES for HMDB0061723 (Carbovir Triphosphate)

INCHI for HMDB0061723 (Carbovir Triphosphate)

Structure for HMDB0061723 (Carbovir Triphosphate)

3D Structure for HMDB0061723 (Carbovir Triphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra