ChemSpider 2D Image | (3beta,13alpha)-3-Hydroxypregna-5,16-dien-20-one | C21H30O2

(3β,13α)-3-Hydroxypregna-5,16-dien-20-one

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID114547169

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β,13α)-3-Hydroxypregna-5,16-dien-20-on [German] [ACD/IUPAC Name]
(3β,13α)-3-Hydroxypregna-5,16-dien-20-one [ACD/IUPAC Name]
(3β,13α)-3-Hydroxyprégna-5,16-dién-20-one [French] [ACD/IUPAC Name]
Pregna-5,16-dien-20-one, 3-hydroxy-, (3β,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: 456.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±6.0 kJ/mol
Flash Point: 194.4±21.3 °C
Index of Refraction: 1.565
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 731.71
ACD/KOC (pH 5.5): 3907.47
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 731.71
ACD/KOC (pH 7.4): 3907.47
Polar Surface Area: 37 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 282.6±5.0 cm3

Click to predict properties on the Chemicalize site


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