ChemSpider 2D Image | 9-[5-O-(Amino{[hydroxy({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)-beta-L-ribofuranosyl]-2-imino-1,2,3,9-tetrahydro-6H-purin-6-one | C18H24N7O15P3

9-[5-O-(Amino{[hydroxy({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)-β-L-ribofuranosyl]-2-imino-1,2,3,9-tetrahydro-6H-purin-6-one

  • Molecular FormulaC18H24N7O15P3
  • Average mass671.342 Da
  • Monoisotopic mass671.054321 Da
  • ChemSpider ID68027036

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

6H-Purin-6-one, 9-[5-O-[amino[[hydroxy[[hydroxy[1-(2-nitrophenyl)ethoxy]phosphinyl]oxy]phosphinyl]oxy]phosphinyl]-β-L-ribofuranosyl]-1,2,3,9-tetrahydro-2-imino- [ACD/Index Name]
9-[5-O-(Amino{[hydroxy({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)-β-L-ribofuranosyl]-2-imino-1,2,3,9-tetrahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-[5-O-(Amino{[hydroxy({hydroxy[1-(2-nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)-β-L-ribofuranosyl]-2-imino-1,2,3,9-tetrahydro-6H-purin-6-one [ACD/IUPAC Name]
9-[5-O-(Amino{[hydroxy({hydroxy[1-(2-nitrophényl)éthoxy]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)-β-L-ribofuranosyl]-2-imino-1,2,3,9-tétrahydro-6H-purin-6-one [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.824
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.89
ACD/LogD (pH 5.5): -7.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 362 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 136.6±7.0 dyne/cm
Molar Volume: 302.4±7.0 cm3

Click to predict properties on the Chemicalize site


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