ChemSpider 2D Image | (3beta,5alpha)-3,20-Dihydroxypregnan-11-one | C21H34O3

(3β,5α)-3,20-Dihydroxypregnan-11-one

  • Molecular FormulaC21H34O3
  • Average mass334.493 Da
  • Monoisotopic mass334.250793 Da
  • ChemSpider ID26356498

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β,5α)-3,20-Dihydroxypregnan-11-on [German] [ACD/IUPAC Name]
(3β,5α)-3,20-Dihydroxypregnan-11-one [ACD/IUPAC Name]
(3β,5α)-3,20-Dihydroxyprégnan-11-one [French] [ACD/IUPAC Name]
Pregnan-11-one, 3,20-dihydroxy-, (3β,5α)- [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: 472.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.8±6.0 kJ/mol
Flash Point: 253.7±21.1 °C
Index of Refraction: 1.539
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.88
ACD/KOC (pH 5.5): 712.48
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.88
ACD/KOC (pH 7.4): 712.48
Polar Surface Area: 58 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 300.7±3.0 cm3

Click to predict properties on the Chemicalize site


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