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ChemSpider 2D Image | 2'-Deoxy-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)cytidine | C9H12N3O13P3

2'-Deoxy-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)cytidine

  • Molecular FormulaC9H12N3O13P3
  • Average mass463.127 Da
  • Monoisotopic mass462.960480 Da
  • ChemSpider ID26332240

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2'-Deoxy-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)cytidine [ACD/IUPAC Name]
2'-Desoxy-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)cytidin [German] [ACD/IUPAC Name]
2'-Désoxy-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)cytidine [French] [ACD/IUPAC Name]
Cytidine, 2'-deoxy-, 5'-(tetrahydrogen triphosphate), ion(4-) [ACD/Index Name]
2'-Deoxycytidine 5'-triphosphate
2'-deoxycytidine 5'-triphosphate(4-)
2'-deoxycytidine-5'-triphosphate
dCTP
dCTP tetraanion
dCTP(4-)
More...
  • Miscellaneous

    • Chemical Class:

      A 2'-deoxyribonucleoside 5'-triphosphate(4-) arising from deprotonation of the triphosphate OH groups of 2'-deoxycytidine 5'-triphosphate (dCTP); major species at pH 7.3. ChEBI CHEBI:61481

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 811.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.3±6.0 kJ/mol
Flash Point: 444.6±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.87
ACD/LogD (pH 5.5): -12.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability:
Surface Tension:
Molar Volume:

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