ChemSpider 2D Image | 9-[5-O-(Hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)-beta-D-glycero-pentofuranosyl]-9H-purin-6-ol | C11H17N4O13P3

9-[5-O-(Hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-9H-purin-6-ol

  • Molecular FormulaC11H17N4O13P3
  • Average mass506.193 Da
  • Monoisotopic mass506.000488 Da
  • ChemSpider ID77412168

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

9-[5-O-(Hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-9H-purin-6-ol [German] [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-9H-purin-6-ol [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonométhyl)phosphoryl]oxy}phosphoryl)-β-D-glycéro-pentofuranosyl]-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-[5-O-[hydroxy[[hydroxy(phosphonomethyl)phosphinyl]oxy]phosphinyl]-β-D-glycero-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 964.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.1±3.0 kJ/mol
Flash Point: 536.8±37.1 °C
Index of Refraction: 1.870
Molar Refractivity: 92.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.76
ACD/LogD (pH 5.5): -11.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 294 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 177.5±7.0 dyne/cm
Molar Volume: 202.5±7.0 cm3

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