ChemSpider 2D Image | 4-Amino-1-{(2R,5S)-2-[hydroxy(~2~H_2_)methyl]-1,3-oxathiolan-5-yl}-2(1H)-(2-~13~C)pyrimidinone | C713CH9D2N3O3S


  • Molecular FormulaC713CH9D2N3O3S
  • Average mass232.261 Da
  • Monoisotopic mass232.068024 Da
  • ChemSpider ID58782810
  • 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(1H)-Pyrimidinone-2-13C, 4-amino-1-[(2R,5S)-2-(hydroxymethyl-d2)-1,3-oxathiolan-5-yl]- [ACD/Index Name]
4-Amino-1-{(2R,5S)-2-[hydroxy(2H2)methyl]-1,3-oxathiolan-5-yl}-2(1H)-(2-13C)pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{(2R,5S)-2-[hydroxy(2H2)methyl]-1,3-oxathiolan-5-yl}-2(1H)-(2-13C)pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{(2R,5S)-2-[hydroxy(2H2)méthyl]-1,3-oxathiolan-5-yl}-2(1H)-(2-13C)pyrimidinone [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.755
Molar Refractivity: 54.1±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
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: 21.5±0.5 10-24cm3
Surface Tension: 79.3±7.0 dyne/cm
Molar Volume: 132.2±7.0 cm3

Click to predict properties on the Chemicalize site