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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2014-06-23 13:57:53 UTC

Update Date

2021-09-14 15:37:15 UTC

HMDB ID

HMDB0061726

Secondary Accession Numbers

HMDB61726

Metabolite Identification

Common Name

Dideoxycytidine 5'-Triphosphate

Description

Dideoxycytidine 5'-Triphosphate, also known as 2',3'-DDCTP or DDCTP-2',3', belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleoside triphosphates. These are pyrimidine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at positions 2 and 3. Dideoxycytidine 5'-Triphosphate is a moderately basic compound (based on its pKa). In humans, dideoxycytidine 5'-triphosphate is involved in zalcitabine action pathway.

Structure

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


  Mrv0541 05041402352D          

 29 30  0  0  1  0            999 V2000
    3.1637   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -1.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.3312    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7512    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.0616    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4656    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    3.2384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    2.0009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.7634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474   -4.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7299   -3.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3950   -4.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1191   -2.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158   -3.0647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8433   -3.9815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5775   -3.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -3.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -3.7422    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -2.5798    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7571   -3.1610    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132   -2.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863    0.3129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  6  1  1  0  0  0  0
  6  5  1  1  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  4  1  0  0  0  0
  8 12  1  1  0  0  0
 12  9  1  0  0  0  0
 13  9  1  0  0  0  0
 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 22  8  1  0  0  0  0
 25 14  1  0  0  0  0
 25 15  1  0  0  0  0
 25 16  2  0  0  0  0
 25 23  1  0  0  0  0
 26 17  1  0  0  0  0
 26 18  2  0  0  0  0
 26 21  1  0  0  0  0
 26 24  1  0  0  0  0
 27 19  1  0  0  0  0
 27 20  2  0  0  0  0
 27 23  1  0  0  0  0
 27 24  1  0  0  0  0
  6 28  1  6  0  0  0
  8 29  1  6  0  0  0
M  END

HMDB0061726
     RDKit          3D
Dideoxycytidine 5'-Triphosphate
 43 44  0  0  0  0  0  0  0  0999 V2000
   -8.0750    0.2206   -0.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8363   -0.0006   -0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3985   -1.2616    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0730   -1.4365    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1185   -0.5744   -0.2642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7105   -0.8368   -0.0554 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8934   -0.6721   -1.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7929    0.2725   -0.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9214    0.0606    0.6760 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0940    0.7421    1.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232    0.7128    0.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647   -0.2172    1.1871 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.1730   -1.0234    2.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382   -1.5022   -0.0465 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    0.4990    1.2406 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1164   -0.6428    0.7614 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.8522   -1.9101    1.5447 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9164   -1.0362   -0.8755 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6700   -0.1457    1.0606 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551    1.1219    0.0584 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.9530    1.6163   -0.7011 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    2.3614    1.0408 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3934    0.6646   -0.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132    0.0192    0.9636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5654    0.5873   -0.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6952    1.5964   -1.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9111    0.8745   -0.8649 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5255    1.1518   -0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1471   -1.9579    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7113   -2.4067    0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061   -1.8600    0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -1.6171   -1.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3916   -0.3039   -2.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2020   -0.0638   -1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0045    1.3132   -1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654   -1.1006    0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967    1.7567    1.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349    0.1449    2.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930   -1.7722   -0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6633   -0.2552   -1.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1700    2.3886    1.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0717   -0.0198   -1.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695    1.7294   -2.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
  9 24  1  0
  5 25  1  0
 25 26  1  0
 25 27  2  0
 27  2  1  0
 24  6  1  0
  1 28  1  0
  3 29  1  0
  4 30  1  0
  6 31  1  1
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  6
 10 37  1  0
 10 38  1  0
 14 39  1  0
 18 40  1  0
 22 41  1  0
 23 42  1  0
 26 43  1  0
M  END


  Mrv0541 05041402352D          

 29 30  0  0  1  0            999 V2000
    3.1637   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538   -1.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.3312    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7512    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -0.0616    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4656    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    3.2384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    2.0009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.7634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5474   -4.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7299   -3.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3950   -4.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1191   -2.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158   -3.0647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8433   -3.9815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -0.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5775   -3.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0634   -3.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -3.7422    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -2.5798    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7571   -3.1610    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132   -2.0662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863    0.3129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  6  1  1  0  0  0  0
  6  5  1  1  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  4  1  0  0  0  0
  8 12  1  1  0  0  0
 12  9  1  0  0  0  0
 13  9  1  0  0  0  0
 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 22  8  1  0  0  0  0
 25 14  1  0  0  0  0
 25 15  1  0  0  0  0
 25 16  2  0  0  0  0
 25 23  1  0  0  0  0
 26 17  1  0  0  0  0
 26 18  2  0  0  0  0
 26 21  1  0  0  0  0
 26 24  1  0  0  0  0
 27 19  1  0  0  0  0
 27 20  2  0  0  0  0
 27 23  1  0  0  0  0
 27 24  1  0  0  0  0
  6 28  1  6  0  0  0
  8 29  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0061726

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC[C@@]([H])(O1)N1C=CC(=N)N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1

> <INCHI_KEY>
ARLKCWCREKRROD-POYBYMJQSA-N

> <FORMULA>
C9H16N3O12P3

> <MOLECULAR_WEIGHT>
451.1575

> <EXACT_MASS>
450.994682527

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
34.878706847168786

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[hydroxy({[hydroxy({[(2S,5R)-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-0.60

> <JCHEM_LOGP>
-2.445821502033385

> <ALOGPS_LOGS>
-1.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.3480213266482926

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8942243858000429

> <JCHEM_PKA_STRONGEST_BASIC>
2.8656711463751474

> <JCHEM_POLAR_SURFACE_AREA>
228.72999999999993

> <JCHEM_REFRACTIVITY>
96.27139999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.64e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[hydroxy({hydroxy[(2S,5R)-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxyphosphoryl}oxy)phosphoryl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0061726
     RDKit          3D
Dideoxycytidine 5'-Triphosphate
 43 44  0  0  0  0  0  0  0  0999 V2000
   -8.0750    0.2206   -0.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8363   -0.0006   -0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3985   -1.2616    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0730   -1.4365    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1185   -0.5744   -0.2642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7105   -0.8368   -0.0554 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8934   -0.6721   -1.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7929    0.2725   -0.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9214    0.0606    0.6760 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0940    0.7421    1.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232    0.7128    0.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647   -0.2172    1.1871 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.1730   -1.0234    2.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382   -1.5022   -0.0465 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    0.4990    1.2406 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1164   -0.6428    0.7614 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.8522   -1.9101    1.5447 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9164   -1.0362   -0.8755 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6700   -0.1457    1.0606 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551    1.1219    0.0584 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.9530    1.6163   -0.7011 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    2.3614    1.0408 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3934    0.6646   -0.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132    0.0192    0.9636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5654    0.5873   -0.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6952    1.5964   -1.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9111    0.8745   -0.8649 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5255    1.1518   -0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1471   -1.9579    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7113   -2.4067    0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061   -1.8600    0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -1.6171   -1.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3916   -0.3039   -2.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2020   -0.0638   -1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0045    1.3132   -1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654   -1.1006    0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967    1.7567    1.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349    0.1449    2.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930   -1.7722   -0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6633   -0.2552   -1.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1700    2.3886    1.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0717   -0.0198   -1.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695    1.7294   -2.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
  9 24  1  0
  5 25  1  0
 25 26  1  0
 25 27  2  0
 27  2  1  0
 24  6  1  0
  1 28  1  0
  3 29  1  0
  4 30  1  0
  6 31  1  1
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  6
 10 37  1  0
 10 38  1  0
 14 39  1  0
 18 40  1  0
 22 41  1  0
 23 42  1  0
 26 43  1  0
M  END

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   26  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   27  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   28  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   29  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    2    6                                                       
CONECT    2    1    8                                                       
CONECT    3    4    7                                                       
CONECT    4    3   12                                                       
CONECT    5    6   21                                                       
CONECT    6    1    5   22   28                                             
CONECT    7    3   10   11                                                  
CONECT    8    2   12   22   29                                             
CONECT    9   11   12   13                                                  
CONECT   10    7                                                            
CONECT   11    7    9                                                       
CONECT   12    4    8    9                                                  
CONECT   13    9                                                            
CONECT   14   25                                                            
CONECT   15   25                                                            
CONECT   16   25                                                            
CONECT   17   26                                                            
CONECT   18   26                                                            
CONECT   19   27                                                            
CONECT   20   27                                                            
CONECT   21    5   26                                                       
CONECT   22    6    8                                                       
CONECT   23   25   27                                                       
CONECT   24   26   27                                                       
CONECT   25   14   15   16   23                                             
CONECT   26   17   18   21   24                                             
CONECT   27   19   20   23   24                                             
CONECT   28    6                                                            
CONECT   29    8                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   60    0
END

COMPND    HMDB0061726
HETATM    1  N1  UNL     1      -8.075   0.221  -0.504  1.00  0.00           N  
HETATM    2  C1  UNL     1      -6.836  -0.001  -0.504  1.00  0.00           C  
HETATM    3  C2  UNL     1      -6.399  -1.262   0.009  1.00  0.00           C  
HETATM    4  C3  UNL     1      -5.073  -1.436   0.099  1.00  0.00           C  
HETATM    5  N2  UNL     1      -4.118  -0.574  -0.264  1.00  0.00           N  
HETATM    6  C4  UNL     1      -2.711  -0.837  -0.055  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.893  -0.672  -1.274  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.793   0.272  -0.797  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.921   0.061   0.676  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.094   0.742   1.537  1.00  0.00           C  
HETATM   11  O1  UNL     1       1.223   0.713   0.667  1.00  0.00           O  
HETATM   12  P1  UNL     1       2.465  -0.217   1.187  1.00  0.00           P  
HETATM   13  O2  UNL     1       2.173  -1.023   2.426  1.00  0.00           O  
HETATM   14  O3  UNL     1       2.638  -1.502  -0.046  1.00  0.00           O  
HETATM   15  O4  UNL     1       3.942   0.499   1.241  1.00  0.00           O  
HETATM   16  P2  UNL     1       5.116  -0.643   0.761  1.00  0.00           P  
HETATM   17  O5  UNL     1       4.852  -1.910   1.545  1.00  0.00           O  
HETATM   18  O6  UNL     1       4.916  -1.036  -0.876  1.00  0.00           O  
HETATM   19  O7  UNL     1       6.670  -0.146   1.061  1.00  0.00           O  
HETATM   20  P3  UNL     1       7.155   1.122   0.058  1.00  0.00           P  
HETATM   21  O8  UNL     1       5.953   1.616  -0.701  1.00  0.00           O  
HETATM   22  O9  UNL     1       7.755   2.361   1.041  1.00  0.00           O  
HETATM   23  O10 UNL     1       8.393   0.665  -0.989  1.00  0.00           O  
HETATM   24  O11 UNL     1      -2.213   0.019   0.964  1.00  0.00           O  
HETATM   25  C9  UNL     1      -4.565   0.587  -0.756  1.00  0.00           C  
HETATM   26  O12 UNL     1      -3.695   1.596  -1.178  1.00  0.00           O  
HETATM   27  N3  UNL     1      -5.911   0.874  -0.865  1.00  0.00           N  
HETATM   28  H1  UNL     1      -8.525   1.152  -0.875  1.00  0.00           H  
HETATM   29  H2  UNL     1      -7.147  -1.958   0.230  1.00  0.00           H  
HETATM   30  H3  UNL     1      -4.711  -2.407   0.492  1.00  0.00           H  
HETATM   31  H4  UNL     1      -2.606  -1.860   0.326  1.00  0.00           H  
HETATM   32  H5  UNL     1      -1.359  -1.617  -1.574  1.00  0.00           H  
HETATM   33  H6  UNL     1      -2.392  -0.304  -2.164  1.00  0.00           H  
HETATM   34  H7  UNL     1       0.202  -0.064  -1.178  1.00  0.00           H  
HETATM   35  H8  UNL     1      -1.005   1.313  -1.062  1.00  0.00           H  
HETATM   36  H9  UNL     1      -0.565  -1.101   0.791  1.00  0.00           H  
HETATM   37  H10 UNL     1      -0.197   1.757   1.838  1.00  0.00           H  
HETATM   38  H11 UNL     1       0.335   0.145   2.406  1.00  0.00           H  
HETATM   39  H12 UNL     1       1.693  -1.772  -0.264  1.00  0.00           H  
HETATM   40  H13 UNL     1       4.663  -0.255  -1.431  1.00  0.00           H  
HETATM   41  H14 UNL     1       7.170   2.389   1.850  1.00  0.00           H  
HETATM   42  H15 UNL     1       8.072  -0.020  -1.619  1.00  0.00           H  
HETATM   43  H16 UNL     1      -3.770   1.729  -2.226  1.00  0.00           H  
CONECT    1    2    2   28
CONECT    2    3   27
CONECT    3    4    4   29
CONECT    4    5   30
CONECT    5    6   25
CONECT    6    7   24   31
CONECT    7    8   32   33
CONECT    8    9   34   35
CONECT    9   10   24   36
CONECT   10   11   37   38
CONECT   11   12
CONECT   12   13   13   14   15
CONECT   14   39
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   40
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   41
CONECT   23   42
CONECT   25   26   27   27
CONECT   26   43
END

HMDB0061726
     RDKit          3D
Dideoxycytidine 5'-Triphosphate
 43 44  0  0  0  0  0  0  0  0999 V2000
   -8.0750    0.2206   -0.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8363   -0.0006   -0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3985   -1.2616    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0730   -1.4365    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1185   -0.5744   -0.2642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7105   -0.8368   -0.0554 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8934   -0.6721   -1.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7929    0.2725   -0.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9214    0.0606    0.6760 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0940    0.7421    1.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232    0.7128    0.6670 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4647   -0.2172    1.1871 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.1730   -1.0234    2.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382   -1.5022   -0.0465 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9417    0.4990    1.2406 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1164   -0.6428    0.7614 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.8522   -1.9101    1.5447 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9164   -1.0362   -0.8755 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6700   -0.1457    1.0606 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551    1.1219    0.0584 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.9530    1.6163   -0.7011 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    2.3614    1.0408 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3934    0.6646   -0.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132    0.0192    0.9636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5654    0.5873   -0.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6952    1.5964   -1.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9111    0.8745   -0.8649 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5255    1.1518   -0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1471   -1.9579    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7113   -2.4067    0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061   -1.8600    0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -1.6171   -1.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3916   -0.3039   -2.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2020   -0.0638   -1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0045    1.3132   -1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5654   -1.1006    0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967    1.7567    1.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349    0.1449    2.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930   -1.7722   -0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6633   -0.2552   -1.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1700    2.3886    1.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0717   -0.0198   -1.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695    1.7294   -2.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
  9 24  1  0
  5 25  1  0
 25 26  1  0
 25 27  2  0
 27  2  1  0
 24  6  1  0
  1 28  1  0
  3 29  1  0
  4 30  1  0
  6 31  1  1
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  6
 10 37  1  0
 10 38  1  0
 14 39  1  0
 18 40  1  0
 22 41  1  0
 23 42  1  0
 26 43  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Dideoxycytidine 5'-triphosphoric acid	Generator
2'3'-Dideoxycytidine 5'-triphosphate	HMDB
2'3'-Dideoxycytidine 5'-triphosphoric acid	HMDB
2',3'-DIDEOXYCYTIDINE 5'-triphosphoric acid	HMDB
2',3'-DDCTP	HMDB
DDCTP-2',3'	HMDB
2',3'-Dideoxycytidine 5'-triphosphate	MeSH

Chemical Formula

C₉H₁₆N₃O₁₂P₃

Average Molecular Weight

451.1575

Monoisotopic Molecular Weight

450.994682527

IUPAC Name

{[hydroxy({[hydroxy({[(2S,5R)-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid

Traditional Name

[hydroxy({hydroxy[(2S,5R)-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxyphosphoryl}oxy)phosphoryl]oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

[H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC[C@@]([H])(O1)N1C=CC(=N)N=C1O

InChI Identifier

InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1

InChI Key

ARLKCWCREKRROD-POYBYMJQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleoside triphosphates. These are pyrimidine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at positions 2 and 3.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine deoxyribonucleotides

Direct Parent

Pyrimidine 2',3'-dideoxyribonucleoside triphosphates

Alternative Parents

Substituents

Pyrimidine 2',3'-dideoxyribonucleoside triphosphate
Aminopyrimidine
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Imidolactam
Alkyl phosphate
Heteroaromatic compound
Tetrahydrofuran
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Primary amine
Organic oxide
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxygen compound
Amine
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Not Available

Process

Naturally occurring process

Biological process

Biochemical pathway

Drug action pathway

Zalcitabine Action Pathway (PathBank: SMP0000746)

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	11.1 g/L	ALOGPS
logP	-0.6	ALOGPS
logP	-2.4	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	0.89	ChemAxon
pKa (Strongest Basic)	2.87	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	228.73 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	96.27 m³·mol⁻¹	ChemAxon
Polarizability	34.88 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	196.921	31661259
DarkChem	[M-H]-	190.601	31661259
DeepCCS	[M+H]+	161.47	30932474
DeepCCS	[M-H]-	159.326	30932474
DeepCCS	[M-2H]-	192.749	30932474
DeepCCS	[M+Na]+	167.728	30932474
AllCCS	[M+H]+	188.6	32859911
AllCCS	[M+H-H2O]+	186.4	32859911
AllCCS	[M+NH4]+	190.6	32859911
AllCCS	[M+Na]+	191.2	32859911
AllCCS	[M-H]-	181.5	32859911
AllCCS	[M+Na-2H]-	181.8	32859911
AllCCS	[M+HCOO]-	182.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Dideoxycytidine 5'-Triphosphate	[H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC[C@@]([H])(O1)N1C=CC(=N)N=C1O	5363.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate	[H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC[C@@]([H])(O1)N1C=CC(=N)N=C1O	3002.8	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate	[H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)CC[C@@]([H])(O1)N1C=CC(=N)N=C1O	3856.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Dideoxycytidine 5'-Triphosphate,1TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1	3593.0	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,1TMS,isomer #2	C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O)OP(=O)(O)O	3732.1	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,1TMS,isomer #3	C[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	3732.7	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,1TMS,isomer #4	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	3732.9	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,1TMS,isomer #5	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(O)=N1	3629.9	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	3594.4	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	3274.1	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	5628.1	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	3692.5	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	3371.8	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	5287.5	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #11	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	3568.5	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #11	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	3448.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #11	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	5562.4	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	3598.1	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	3285.1	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	5650.9	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3590.6	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3277.8	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	5673.0	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #4	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	3490.9	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #4	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	3391.9	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #4	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	5890.6	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3704.6	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	3391.0	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #5	C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O	5178.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C	3696.7	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C	3383.1	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C	5242.3	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #7	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O)=N1	3586.6	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #7	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O)=N1	3449.5	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #7	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O)=N1	5512.1	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	3697.5	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	3397.1	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	5246.7	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #9	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O)=N1	3584.6	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #9	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O)=N1	3470.7	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TMS,isomer #9	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O)=N1	5528.5	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	3542.4	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	3303.3	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O1	5123.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #10	C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3655.6	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #10	C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3376.1	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #10	C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4801.7	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #11	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	3509.6	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #11	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	3514.6	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #11	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	5073.1	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,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]1CC[C@H](N2C=CC(=N)N=C2O)O1	3652.1	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,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]1CC[C@H](N2C=CC(=N)N=C2O)O1	3381.6	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,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]1CC[C@H](N2C=CC(=N)N=C2O)O1	4801.9	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #13	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	3502.2	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #13	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	3525.5	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #13	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	5046.6	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #14	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O)=N1	3504.0	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #14	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O)=N1	3506.8	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #14	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O)=N1	5100.7	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3536.3	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	3290.5	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #2	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O1	5201.5	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #3	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	3440.4	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #3	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	3419.7	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #3	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	5352.0	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	3528.2	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	3299.8	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #4	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	5180.6	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #5	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	3423.0	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #5	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	3429.5	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #5	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	5329.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3534.4	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3279.5	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #6	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	5228.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #7	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3417.8	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #7	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3409.8	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #7	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	5402.2	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C	3649.8	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C	3396.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C	4774.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #9	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O)=N1	3521.5	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #9	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O)=N1	3530.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TMS,isomer #9	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O)=N1	4982.6	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	3503.6	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	3273.9	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O1	4767.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #10	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O)=N1	3507.2	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #10	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O)=N1	3518.2	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #10	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O)=N1	4672.9	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #11	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O)=N1	3496.5	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #11	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O)=N1	3523.3	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #11	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O)=N1	4648.2	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #2	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	3420.4	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #2	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	3424.0	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #2	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O2)C(O[Si](C)(C)C)=N1	4861.2	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3507.3	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3251.3	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #3	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	4817.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #4	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3435.7	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #4	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3405.2	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #4	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	4967.7	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #5	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3503.2	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #5	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	3257.7	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #5	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O1	4795.0	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #6	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3417.5	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #6	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3417.8	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #6	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	4917.1	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #7	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3431.0	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #7	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3396.1	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #7	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	4988.7	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3609.0	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3356.6	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4378.4	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #9	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	3499.6	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #9	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	3535.9	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,4TMS,isomer #9	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O)=N1	4620.5	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	3484.3	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	3240.1	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #1	C[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	4386.7	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #2	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3449.1	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #2	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3386.6	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #2	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)OP(=O)(O)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	4498.9	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #3	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3459.1	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #3	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3363.9	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #3	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	4568.4	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #4	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3446.1	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #4	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	3375.7	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #4	C[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(O[Si](C)(C)C)=N1	4517.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #5	C[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	3513.5	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #5	C[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	3497.1	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,5TMS,isomer #5	C[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	4201.5	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,6TMS,isomer #1	C[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O[Si](C)(C)C)=N1	3483.4	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,6TMS,isomer #1	C[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O[Si](C)(C)C)=N1	3344.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,6TMS,isomer #1	C[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O[Si](C)(C)C)=N1	4122.6	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1	3872.1	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O)OP(=O)(O)O	3986.4	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(OP(=O)(O)O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	3983.8	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	3978.3	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(O)=N1	3907.8	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	4058.5	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	3596.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O1	5684.1	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	4149.9	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	3643.8	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	5431.1	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(O)=N1	4028.4	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(O)=N1	3757.8	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(O)=N1	5612.5	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O1	4048.9	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O1	3601.9	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O1	5685.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O1	4052.8	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O1	3594.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O1	5724.1	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C(C)(C)C)=N1	3926.3	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C(C)(C)C)=N1	3669.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C(C)(C)C)=N1	5826.3	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	4168.0	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	3669.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O	5310.9	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C(C)(C)C	4151.9	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C(C)(C)C	3658.0	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C(C)(C)C	5385.4	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O)=N1	4031.1	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O)=N1	3754.7	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O)=N1	5570.0	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	4146.6	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	3668.3	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1	5366.7	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(O)=N1	4035.2	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(O)=N1	3763.6	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(O)=N1	5561.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	4170.7	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	3703.1	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	5253.3	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4257.3	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3743.1	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4996.5	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	4141.5	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	3895.5	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	5222.1	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #12	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]1CC[C@H](N2C=CC(=N)N=C2O)O1	4243.8	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #12	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]1CC[C@H](N2C=CC(=N)N=C2O)O1	3744.6	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #12	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]1CC[C@H](N2C=CC(=N)N=C2O)O1	4967.5	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	4145.3	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	3904.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	5167.9	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	4135.4	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	3869.3	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	5263.9	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	4162.2	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	3693.7	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	5345.9	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C(C)(C)C)=N1	4052.7	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C(C)(C)C)=N1	3785.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OP(=O)(O)O)O2)C(O[Si](C)(C)C(C)(C)C)=N1	5447.1	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	4155.4	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	3699.1	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	5294.6	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(O[Si](C)(C)C(C)(C)C)=N1	4052.1	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(O[Si](C)(C)C(C)(C)C)=N1	3793.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O)O2)C(O[Si](C)(C)C(C)(C)C)=N1	5401.6	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	4162.6	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	3675.9	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(=N)C=CN1[C@H]1CC[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)O1	5389.4	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(O[Si](C)(C)C(C)(C)C)=N1	4042.1	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(O[Si](C)(C)C(C)(C)C)=N1	3785.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(O[Si](C)(C)C(C)(C)C)=N1	5484.8	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C(C)(C)C	4242.7	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C(C)(C)C	3767.4	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(OC[C@@H]1CC[C@H](N2C=CC(=N)N=C2O)O1)O[Si](C)(C)C(C)(C)C	4909.9	Standard polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	4145.4	Semi standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	3903.0	Standard non polar	33892256
Dideoxycytidine 5'-Triphosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C1C=CN([C@H]2CC[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)O2)C(O)=N1	5122.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Dideoxycytidine 5'-Triphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-056s-9673000000-5cf54473d4c04e8940de	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dideoxycytidine 5'-Triphosphate GC-MS (1 TMS) - 70eV, Positive	splash10-0092-9442210000-4f114b00fd22e8f6e998	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Dideoxycytidine 5'-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 - Dideoxycytidine 5'-Triphosphate 10V, Positive-QTOF	splash10-03di-0900000000-a6858e7c6b8ab284816c	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dideoxycytidine 5'-Triphosphate 20V, Positive-QTOF	splash10-03di-2900000000-6740a7ce002cb30ffee2	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dideoxycytidine 5'-Triphosphate 40V, Positive-QTOF	splash10-03di-9800000000-4058095e3ebf31338740	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dideoxycytidine 5'-Triphosphate 10V, Negative-QTOF	splash10-052b-0010900000-fc3d6cfe0f9e80753547	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dideoxycytidine 5'-Triphosphate 20V, Negative-QTOF	splash10-08i0-9231100000-a7f02c74ed875375c9f3	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dideoxycytidine 5'-Triphosphate 40V, Negative-QTOF	splash10-056r-9400000000-5a11cbdd538769e93c8f	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dideoxycytidine 5'-Triphosphate 10V, Negative-QTOF	splash10-0002-0001900000-9737232a662a541c91cc	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dideoxycytidine 5'-Triphosphate 20V, Negative-QTOF	splash10-0059-7303900000-ca914b97dc9643708b11	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dideoxycytidine 5'-Triphosphate 40V, Negative-QTOF	splash10-004i-9201000000-0768d1c7423cf3bb215e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dideoxycytidine 5'-Triphosphate 10V, Positive-QTOF	splash10-0w29-0500900000-0f3732fa48a2894b2e8b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dideoxycytidine 5'-Triphosphate 20V, Positive-QTOF	splash10-0ikc-1953700000-f4a512c95a6a1f84b4ff	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Dideoxycytidine 5'-Triphosphate 40V, Positive-QTOF	splash10-01ot-0910000000-dbd5c0e8e862de7f1d4e	2021-09-23	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
Zalcitabine 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

119119

PDB ID

DCT

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Dideoxycytidine 5'-Triphosphate (HMDB0061726)

MOL for HMDB0061726 (Dideoxycytidine 5'-Triphosphate)

3D MOL for HMDB0061726 (Dideoxycytidine 5'-Triphosphate)

3D SDF for HMDB0061726 (Dideoxycytidine 5'-Triphosphate)

3D-SDF for HMDB0061726 (Dideoxycytidine 5'-Triphosphate)

PDB for HMDB0061726 (Dideoxycytidine 5'-Triphosphate)

3D PDB for HMDB0061726 (Dideoxycytidine 5'-Triphosphate)

SMILES for HMDB0061726 (Dideoxycytidine 5'-Triphosphate)

INCHI for HMDB0061726 (Dideoxycytidine 5'-Triphosphate)

Structure for HMDB0061726 (Dideoxycytidine 5'-Triphosphate)

3D Structure for HMDB0061726 (Dideoxycytidine 5'-Triphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra