ChemSpider 2D Image | 1-Methyl-2,8-dioxo-2,7,8-trihydroadenosine | C11H15N5O6

1-Methyl-2,8-dioxo-2,7,8-trihydroadenosine

  • Molecular FormulaC11H15N5O6
  • Average mass313.267 Da
  • Monoisotopic mass313.102234 Da
  • ChemSpider ID62702362

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Methyl-2,8-dioxo-2,7,8-trihydroadenosin [German] [ACD/IUPAC Name]
1-Methyl-2,8-dioxo-2,7,8-trihydroadenosine [ACD/IUPAC Name]
1-Méthyl-2,8-dioxo-2,7,8-trihydroadénosine [French] [ACD/IUPAC Name]
2,7,8-Trihydroadenosine, 1-methyl-2,8-dioxo- [ACD/Index 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: 1.900
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -3.68
ACD/LogD (pH 5.5): -4.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 113.0±7.0 dyne/cm
Molar Volume: 144.0±7.0 cm3

Click to predict properties on the Chemicalize site


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