ChemSpider 2D Image | 2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-(~2~H_2_)methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one | C12H13D2N5O3

2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-(2H2)methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC12H13D2N5O3
  • Average mass279.292 Da
  • Monoisotopic mass279.130035 Da
  • ChemSpider ID76920344

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-(2H2)methylencyclopentyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-(2H2)methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxyméthyl)-2-(2H2)méthylènecyclopentyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-(methylene-d2)cyclopentyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.837
Molar Refractivity: 67.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.69
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.65
Polar Surface Area: 126 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 84.2±7.0 dyne/cm
Molar Volume: 153.0±7.0 cm3

Click to predict properties on the Chemicalize site


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