ChemSpider 2D Image | 2-Amino-1-{[(2R)-2-methyl-4-methylene-5-oxotetrahydro-2-furanyl]methyl}-1,9-dihydro-6H-purin-6-one | C12H13N5O3

2-Amino-1-{[(2R)-2-methyl-4-methylene-5-oxotetrahydro-2-furanyl]methyl}-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC12H13N5O3
  • Average mass275.263 Da
  • Monoisotopic mass275.101837 Da
  • ChemSpider ID62398260

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Amino-1-{[(2R)-2-methyl-4-methylen-5-oxotetrahydro-2-furanyl]methyl}-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-1-{[(2R)-2-methyl-4-methylene-5-oxotetrahydro-2-furanyl]methyl}-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-1-{[(2R)-2-méthyl-4-méthylène-5-oxotétrahydro-2-furanyl]méthyl}-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
2-Imino-1-{[(2R)-2-methyl-4-methylen-5-oxotetrahydro-2-furanyl]methyl}-1,2,3,9-tetrahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Imino-1-{[(2R)-2-methyl-4-methylene-5-oxotetrahydro-2-furanyl]methyl}-1,2,3,9-tetrahydro-6H-purin-6-one [ACD/IUPAC Name]
2-Imino-1-{[(2R)-2-méthyl-4-méthylène-5-oxotétrahydro-2-furanyl]méthyl}-1,2,3,9-tétrahydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 1,2,3,9-tetrahydro-2-imino-1-[[(2R)-tetrahydro-2-methyl-4-methylene-5-oxo-2-furanyl]methyl]- [ACD/Index Name]
6H-Purin-6-one, 2-amino-1,9-dihydro-1-[[(2R)-tetrahydro-2-methyl-4-methylene-5-oxo-2-furanyl]methyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 596.3±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.4±31.8 °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: -2.05
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.04
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.05
Polar Surface Area: 111 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 166.7±7.0 cm3

Click to predict properties on the Chemicalize site


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