ChemSpider 2D Image | 2'-Deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine | C11H17FN5O11P3

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

  • Molecular FormulaC11H17FN5O11P3
  • Average mass507.199 Da
  • Monoisotopic mass507.012146 Da
  • ChemSpider ID35035915

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

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

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

Density: 2.4±0.1 g/cm3
Boiling Point: 914.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.4±3.0 kJ/mol
Flash Point: 507.1±37.1 °C
Index of Refraction: 1.841
Molar Refractivity: 92.0±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.91
ACD/LogD (pH 5.5): -10.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 279 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 157.2±7.0 dyne/cm
Molar Volume: 207.6±7.0 cm3

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