ChemSpider 2D Image | 9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-L-ribofuranosyl]-2-imino-7-methyl-1,2,3,7,8,9-hexahydro-6H-purin-6-one | C11H20N5O14P3

9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-ribofuranosyl]-2-imino-7-methyl-1,2,3,7,8,9-hexahydro-6H-purin-6-one

  • Molecular FormulaC11H20N5O14P3
  • Average mass539.223 Da
  • Monoisotopic mass539.021973 Da
  • ChemSpider ID71360749

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6H-Purin-6-one, 1,2,3,7,8,9-hexahydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-L-ribofuranosyl]-2-imino-7-methyl- [ACD/Index Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-ribofuranosyl]-2-imino-7-methyl-1,2,3,7,8,9-hexahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-ribofuranosyl]-2-imino-7-methyl-1,2,3,7,8,9-hexahydro-6H-purin-6-one [ACD/IUPAC Name]
9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-ribofuranosyl]-2-imino-7-méthyl-1,2,3,7,8,9-hexahydro-6H-purin-6-one [French] [ACD/IUPAC Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.872
Molar Refractivity: 96.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.05
ACD/LogD (pH 5.5): -10.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 310 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 179.8±7.0 dyne/cm
Molar Volume: 210.9±7.0 cm3

Click to predict properties on the Chemicalize site


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