ChemSpider 2D Image | (8xi,9xi,17beta)-3-Oxoandrost-4-ene-17-carboxylic acid | C20H28O3

(8ξ,9ξ,17β)-3-Oxoandrost-4-ene-17-carboxylic acid

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID31042828

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(8ξ,9ξ,17β)-3-Oxoandrost-4-en-17-carbonsäure [German] [ACD/IUPAC Name]
(8ξ,9ξ,17β)-3-Oxoandrost-4-ene-17-carboxylic acid [ACD/IUPAC Name]
Acide (8ξ,9ξ,17β)-3-oxoandrost-4-ène-17-carboxylique [French] [ACD/IUPAC Name]
Androst-4-ene-17-carboxylic acid, 3-oxo-, (8ξ,9ξ,17β)- [ACD/Index Name]
302-97-6 [RN]
3-Oxo-4-androstene-17β-carboxylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 483.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 260.6±25.2 °C
Index of Refraction: 1.564
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 47.30
ACD/KOC (pH 5.5): 332.60
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.37
Polar Surface Area: 54 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 270.1±5.0 cm3

Click to predict properties on the Chemicalize site


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