ChemSpider 2D Image | 9-[(1S,3R,4S)-4-Hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-2-imino(4,6-~13~C_2_,7-~15~N)-3,9-dihydro-2H-purin-6-ol | C1013C2H15N415NO3

9-[(1S,3R,4S)-4-Hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-2-imino(4,6-13C2,7-15N)-3,9-dihydro-2H-purin-6-ol

  • Molecular FormulaC1013C2H15N415NO3
  • Average mass280.258 Da
  • Monoisotopic mass280.121246 Da
  • ChemSpider ID57268431

  • 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

2H-Purin-6-ol-4,6-13C2-7-15N, 3,9-dihydro-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-2-imino- [ACD/Index Name]
9-[(1S,3R,4S)-4-Hydroxy-3-(hydroxymethyl)-2-methylencyclopentyl]-2-imino(4,6-13C2,7-15N)-3,9-dihydro-2H-purin-6-ol [German] [ACD/IUPAC Name]
9-[(1S,3R,4S)-4-Hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-2-imino(4,6-13C2,7-15N)-3,9-dihydro-2H-purin-6-ol [ACD/IUPAC Name]
9-[(1S,3R,4S)-4-Hydroxy-3-(hydroxyméthyl)-2-méthylènecyclopentyl]-2-imino(4,6-13C2,7-15N)-3,9-dihydro-2H-purin-6-ol [French] [ACD/IUPAC Name]
1329796-53-3 [RN]
ENTECAVIR-15N-13C2

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:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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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