ChemSpider 2D Image | 9-{3-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-beta-D-erythro-pentofuranosyl}-9H-purin-6-ol | C10H14N4O10P2

9-{3-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-erythro-pentofuranosyl}-9H-purin-6-ol

  • Molecular FormulaC10H14N4O10P2
  • Average mass412.186 Da
  • Monoisotopic mass412.018524 Da
  • ChemSpider ID57492212

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

9-{3-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-erythro-pentofuranosyl}-9H-purin-6-ol [ACD/IUPAC Name]
9-{3-Desoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-erythro-pentofuranosyl}-9H-purin-6-ol [German] [ACD/IUPAC Name]
9-{3-Désoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-érythro-pentofuranosyl}-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-[3-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-erythro-pentofuranosyl]- [ACD/Index Name]
89139-46-8 [RN]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 831.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 456.7±37.1 °C
Index of Refraction: 1.851
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.15
ACD/LogD (pH 5.5): -9.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 226 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 151.2±7.0 dyne/cm
Molar Volume: 174.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement