ChemSpider 2D Image | 2'-Deoxy-5'-O-[(R)-{difluoro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine | C10H16F2N3O12P3

2'-Deoxy-5'-O-[(R)-{difluoro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine

  • Molecular FormulaC10H16F2N3O12P3
  • Average mass501.165 Da
  • Monoisotopic mass500.991486 Da
  • ChemSpider ID35035562

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'-Deoxy-5'-O-[(R)-{difluoro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine [ACD/IUPAC Name]
2'-Deoxy-5'-O-[(S)-{difluoro[(S)-Hydroxy(Phosphonooxy)phosphoryl]methyl}(Hydroxy)phosphoryl]cytidine
2'-Desoxy-5'-O-[(R)-{difluor[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidin [German] [ACD/IUPAC Name]
2'-Désoxy-5'-O-[(R)-{difluoro[(R)-hydroxy(phosphonooxy)phosphoryl]méthyl}(hydroxy)phosphoryl]cytidine [French] [ACD/IUPAC Name]
Cytidine, 2'-deoxy-5'-O-[(R)-[(1R)-difluoro[(R)-hydroxy(phosphonooxy)phosphinyl]methyl]hydroxyphosphinyl]- [ACD/Index Name]
6CF

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

Density: 2.3±0.1 g/cm3
Boiling Point: 780.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.5±6.0 kJ/mol
Flash Point: 425.9±35.7 °C
Index of Refraction: 1.717
Molar Refractivity: 85.1±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.57
ACD/LogD (pH 5.5): -11.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 131.7±7.0 dyne/cm
Molar Volume: 216.2±7.0 cm3

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