ChemSpider 2D Image | 2'-Deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine | C11H16F2N5O11P3

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

  • Molecular FormulaC11H16F2N5O11P3
  • Average mass525.190 Da
  • Monoisotopic mass525.002747 Da
  • ChemSpider ID35035896

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'-Deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
2'-Desoxy-5'-O-[(S)-{difluor[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
2'-Désoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]méthyl}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 2'-deoxy-5'-O-[(S)-[(1S)-difluoro[(S)-hydroxy(phosphonooxy)phosphinyl]methyl]hydroxyphosphinyl]- [ACD/Index Name]
F3A

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

Density: 2.4±0.1 g/cm3
Boiling Point: 876.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 484.1±37.1 °C
Index of Refraction: 1.802
Molar Refractivity: 92.5±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.63
ACD/LogD (pH 5.5): -9.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 279 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 145.9±7.0 dyne/cm
Molar Volume: 215.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement