ChemSpider 2D Image | (3beta,5alpha,12beta)-3,12,14-Trihydroxypregnan-20-one | C21H34O4

(3β,5α,12β)-3,12,14-Trihydroxypregnan-20-one

  • Molecular FormulaC21H34O4
  • Average mass350.492 Da
  • Monoisotopic mass350.245697 Da
  • ChemSpider ID24742180

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α,12β)-3,12,14-Trihydroxypregnan-20-on [German] [ACD/IUPAC Name]
(3β,5α,12β)-3,12,14-Trihydroxypregnan-20-one [ACD/IUPAC Name]
(3β,5α,12β)-3,12,14-Trihydroxyprégnan-20-one [French] [ACD/IUPAC Name]
Pregnan-20-one, 3,12,14-trihydroxy-, (3β,5α,12β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 503.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 272.1±26.6 °C
Index of Refraction: 1.571
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.83
ACD/KOC (pH 5.5): 151.89
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.83
ACD/KOC (pH 7.4): 151.89
Polar Surface Area: 78 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 291.1±3.0 cm3

Click to predict properties on the Chemicalize site


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