ChemSpider 2D Image | 2-Amino-1-[(2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methyl]-1,7-dihydro-6H-purin-6-one | C12H13N5O3

2-Amino-1-[(2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methyl]-1,7-dihydro-6H-purin-6-one

  • Molecular FormulaC12H13N5O3
  • Average mass275.263 Da
  • Monoisotopic mass275.101837 Da
  • ChemSpider ID21203080

More details:

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

2-Amino-1-[(2-methyl-4-methylen-5-oxotetrahydro-2-furanyl)methyl]-1,7-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-1-[(2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methyl]-1,7-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-1-[(2-méthyl-4-méthylène-5-oxotétrahydro-2-furanyl)méthyl]-1,7-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-1,7-dihydro-1-[(tetrahydro-2-methyl-4-methylene-5-oxo-2-furanyl)methyl]- [ACD/Index Name]
ZINC01609313

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

Density: 1.7±0.1 g/cm3
Boiling Point: 658.6±61.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.1±33.2 °C
Index of Refraction: 1.758
Molar Refractivity: 68.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.09
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.26
Polar Surface Area: 114 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 166.7±7.0 cm3

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