ChemSpider 2D Image | 2-Amino-9-[(3xi)-2-C-methyl-beta-L-erythro-pentofuranosyl]-3,9-dihydro-6H-purin-6-one | C11H15N5O5

2-Amino-9-[(3ξ)-2-C-methyl-β-L-erythro-pentofuranosyl]-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC11H15N5O5
  • Average mass297.267 Da
  • Monoisotopic mass297.107330 Da
  • ChemSpider ID78219533

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Amino-9-[(3ξ)-2-C-methyl-β-L-erythro-pentofuranosyl]-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[(3ξ)-2-C-methyl-β-L-erythro-pentofuranosyl]-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[(3ξ)-2-C-méthyl-β-L-érythro-pentofuranosyl]-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-3,9-dihydro-9-[(3ξ)-2-C-methyl-β-L-erythro-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 733.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.2±35.7 °C
Index of Refraction: 1.860
Molar Refractivity: 65.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.36
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.44
Polar Surface Area: 155 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 102.3±7.0 dyne/cm
Molar Volume: 146.0±7.0 cm3

Click to predict properties on the Chemicalize site


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