ChemSpider 2D Image | (11beta,13xi)-11,17-Dihydroxy-3-oxoandrost-4-ene-17-carboxylic acid | C20H28O5

(11β,13ξ)-11,17-Dihydroxy-3-oxoandrost-4-ene-17-carboxylic acid

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID58817100

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(11β,13ξ)-11,17-Dihydroxy-3-oxoandrost-4-en-17-carbonsäure [German] [ACD/IUPAC Name]
(11β,13ξ)-11,17-Dihydroxy-3-oxoandrost-4-ene-17-carboxylic acid [ACD/IUPAC Name]
Acide (11β,13ξ)-11,17-dihydroxy-3-oxoandrost-4-ène-17-carboxylique [French] [ACD/IUPAC Name]
Androst-4-ene-17-carboxylic acid, 11,17-dihydroxy-3-oxo-, (11β,13ξ)- [ACD/Index Name]
3597-45-3 [RN]
Cortienic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 310.1±26.6 °C
Index of Refraction: 1.602
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 265.2±5.0 cm3

Click to predict properties on the Chemicalize site


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