ChemSpider 2D Image | 9-{6-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-D-allofuranosyl}-9H-purin-6-amine | C11H17N5O10P2

9-{6-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-D-allofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC11H17N5O10P2
  • Average mass441.228 Da
  • Monoisotopic mass441.045074 Da
  • ChemSpider ID24679958

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

9-{6-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-D-allofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{6-Desoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-D-allofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{6-Désoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-D-allofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[6-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-D-allofuranosyl]- [ACD/Index Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 856.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 471.7±37.1 °C
Index of Refraction: 1.865
Molar Refractivity: 84.3±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.56
ACD/LogD (pH 5.5): -8.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 147.9±7.0 dyne/cm
Molar Volume: 186.2±7.0 cm3

Click to predict properties on the Chemicalize site


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