ChemSpider 2D Image | 2-Imino-7-methyl-9-(5-O-phosphono-beta-L-ribofuranosyl)-1,2,3,7,8,9-hexahydro-6H-purin-6-one | C11H18N5O8P

2-Imino-7-methyl-9-(5-O-phosphono-β-L-ribofuranosyl)-1,2,3,7,8,9-hexahydro-6H-purin-6-one

  • Molecular FormulaC11H18N5O8P
  • Average mass379.263 Da
  • Monoisotopic mass379.089294 Da
  • ChemSpider ID71360803

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Imino-7-methyl-9-(5-O-phosphono-β-L-ribofuranosyl)-1,2,3,7,8,9-hexahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Imino-7-methyl-9-(5-O-phosphono-β-L-ribofuranosyl)-1,2,3,7,8,9-hexahydro-6H-purin-6-one [ACD/IUPAC Name]
2-Imino-7-méthyl-9-(5-O-phosphono-β-L-ribofuranosyl)-1,2,3,7,8,9-hexahydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 1,2,3,7,8,9-hexahydro-2-imino-7-methyl-9-(5-O-phosphono-β-L-ribofuranosyl)- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.865
Molar Refractivity: 76.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -4.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 128.9±7.0 dyne/cm
Molar Volume: 168.2±7.0 cm3

Click to predict properties on the Chemicalize site


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