ChemSpider 2D Image | (3beta,5alpha,9beta,13alpha)-3,17-Dihydroxypregnan-20-one | C21H34O3

(3β,5α,9β,13α)-3,17-Dihydroxypregnan-20-one

  • Molecular FormulaC21H34O3
  • Average mass334.493 Da
  • Monoisotopic mass334.250793 Da
  • ChemSpider ID62502467

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,8α,9β,13α,14β)-3,17-Dihydroxypregnan-20-on [German] [ACD/IUPAC Name]
(3β,5α,8α,9β,13α,14β)-3,17-Dihydroxypregnan-20-one [ACD/IUPAC Name]
(3β,5α,8α,9β,13α,14β)-3,17-Dihydroxyprégnan-20-one [French] [ACD/IUPAC Name]
(3β,5α,9β,13α)-3,17-Dihydroxypregnan-20-on [German] [ACD/IUPAC Name]
(3β,5α,9β,13α)-3,17-Dihydroxypregnan-20-one [ACD/IUPAC Name]
(3β,5α,9β,13α)-3,17-Dihydroxyprégnan-20-one [French] [ACD/IUPAC Name]
Pregnan-20-one, 3,17-dihydroxy-, (3β,5α,8α,9β,13α,14β)- [ACD/Index Name]
Pregnan-20-one, 3,17-dihydroxy-, (3β,5α,9β,13α)- [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: 465.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 249.4±18.3 °C
Index of Refraction: 1.544
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 381.59
ACD/KOC (pH 5.5): 2451.94
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 381.59
ACD/KOC (pH 7.4): 2451.93
Polar Surface Area: 58 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 297.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement