ChemSpider 2D Image | (3beta,17xi)-3-Hydroxy(20,21-~13~C_2_)pregn-5-en-20-one | C1913C2H32O2


  • Molecular FormulaC1913C2H32O2
  • Average mass318.463 Da
  • Monoisotopic mass318.246948 Da
  • ChemSpider ID8194380
  • defined stereocentres - 6 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,17ξ)-3-Hydroxy(20,21-13C2)pregn-5-en-20-on [German] [ACD/IUPAC Name]
(3β,17ξ)-3-Hydroxy(20,21-13C2)pregn-5-en-20-one [ACD/IUPAC Name]
(3β,17ξ)-3-Hydroxy(20,21-13C2)prégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one-20,21-13C2, 3-hydroxy-, (3β,17ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.550
Molar Refractivity: 92.4±0.4 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: 36.6±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 290.0±5.0 cm3

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