ChemSpider 2D Image | 9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-2-O-methyl-beta-D-xylofuranosyl}-9H-purin-6-amine | C11H17N5O10P2

9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-2-O-methyl-β-D-xylofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC11H17N5O10P2
  • Average mass441.228 Da
  • Monoisotopic mass441.045074 Da
  • ChemSpider ID57491360

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-2-O-methyl-β-D-xylofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-2-O-methyl-β-D-xylofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-2-O-méthyl-β-D-xylofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-2-O-methyl-β-D-xylofuranosyl]- [ACD/Index Name]
20663-28-9 [RN]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 829.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 455.7±37.1 °C
Index of Refraction: 1.817
Molar Refractivity: 84.8±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.95
ACD/LogD (pH 5.5): -8.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 132.4±7.0 dyne/cm
Molar Volume: 195.5±7.0 cm3

Click to predict properties on the Chemicalize site


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