ChemSpider 2D Image | (8xi,9xi,14beta)-3-Hydroxyandrost-5-ene-17-carboxylic acid | C20H30O3

(8ξ,9ξ,14β)-3-Hydroxyandrost-5-ene-17-carboxylic acid

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID21828220
  • defined stereocentres - 2 of 7 defined stereocentres


More details:






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

(8ξ,9ξ,14β)-3-Hydroxyandrost-5-en-17-carbonsäure [German] [ACD/IUPAC Name]
(8ξ,9ξ,14β)-3-Hydroxyandrost-5-ene-17-carboxylic acid [ACD/IUPAC Name]
Acide (8ξ,9ξ,14β)-3-hydroxyandrost-5-ène-17-carboxylique [French] [ACD/IUPAC Name]
Androst-5-ene-17-carboxylic acid, 3-hydroxy-, (8ξ,9ξ,14β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 478.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.6±6.0 kJ/mol
Flash Point: 257.4±25.2 °C
Index of Refraction: 1.572
Molar Refractivity: 89.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 93.22
ACD/KOC (pH 5.5): 533.85
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.50
ACD/KOC (pH 7.4): 8.58
Polar Surface Area: 58 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 271.2±5.0 cm3

Click to predict properties on the Chemicalize site






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