ChemSpider 2D Image | 6-Imino-1-methyl-9-(5-O-phosphono-D-ribofuranosyl)-1,3,6,9-tetrahydro-2H-purin-2-one | C11H16N5O8P

6-Imino-1-methyl-9-(5-O-phosphono-D-ribofuranosyl)-1,3,6,9-tetrahydro-2H-purin-2-one

  • Molecular FormulaC11H16N5O8P
  • Average mass377.247 Da
  • Monoisotopic mass377.073639 Da
  • ChemSpider ID24657765

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2H-Purin-2-one, 1,3,6,9-tetrahydro-6-imino-1-methyl-9-(5-O-phosphono-D-ribofuranosyl)- [ACD/Index Name]
6-Imino-1-methyl-9-(5-O-phosphono-D-ribofuranosyl)-1,3,6,9-tetrahydro-2H-purin-2-on [German] [ACD/IUPAC Name]
6-Imino-1-methyl-9-(5-O-phosphono-D-ribofuranosyl)-1,3,6,9-tetrahydro-2H-purin-2-one [ACD/IUPAC Name]
6-Imino-1-méthyl-9-(5-O-phosphono-D-ribofuranosyl)-1,3,6,9-tétrahydro-2H-purin-2-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: 1.865
Molar Refractivity: 76.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.22
ACD/LogD (pH 5.5): -6.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 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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