ChemSpider 2D Image | 4-Amino-1-[2-deoxy-5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-2(1H)-pyrimidinone | C9H12N3O13P3

4-Amino-1-[2-deoxy-5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC9H12N3O13P3
  • Average mass463.127 Da
  • Monoisotopic mass462.960480 Da
  • ChemSpider ID24785437

  • Charge - Charge

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-, ion(4-) [ACD/Index Name]
4-Amino-1-[2-deoxy-5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[2-desoxy-5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[2-désoxy-5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2'-deoxycytidine-5'-triphosphate*deoxycytidine-triphosphate*deoxy-CTP
dCTP

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:

Click to predict properties on the Chemicalize site


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