ChemSpider 2D Image | 2-Amino-9-{(1R,4S)-4-[hydroxy(~2~H_2_)methyl]-2-cyclopenten-1-yl}(8-~13~C)-3,9-dihydro-6H-purin-6-one | C1013CH11D2N5O2

2-Amino-9-{(1R,4S)-4-[hydroxy(2H2)methyl]-2-cyclopenten-1-yl}(8-13C)-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC1013CH11D2N5O2
  • Average mass250.258 Da
  • Monoisotopic mass250.122833 Da
  • ChemSpider ID76920240

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-Amino-9-{(1R,4S)-4-[hydroxy(2H2)methyl]-2-cyclopenten-1-yl}(8-13C)-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{(1R,4S)-4-[hydroxy(2H2)methyl]-2-cyclopenten-1-yl}(8-13C)-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{(1R,4S)-4-[hydroxy(2H2)méthyl]-2-cyclopentén-1-yl}(8-13C)-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one-8-13C, 2-amino-3,9-dihydro-9-[(1R,4S)-4-(hydroxymethyl-d2)-2-cyclopenten-1-yl]- [ACD/Index Name]
1246816-59-0 [RN]

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: 1.842
Molar Refractivity: 62.3±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: 24.7±0.5 10-24cm3
Surface Tension: 85.1±7.0 dyne/cm
Molar Volume: 140.5±7.0 cm3

Click to predict properties on the Chemicalize site


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