ChemSpider 2D Image | (10xi,11beta,13xi,17alpha)-11,17-Dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxylic acid | C21H28O5

(10ξ,11β,13ξ,17α)-11,17-Dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxylic acid

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID58817776

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(10ξ,11β,13ξ,17α)-11,17-Dihydroxy-17-methyl-3-oxoandrosta-1,4-dien-2-carbonsäure [German] [ACD/IUPAC Name]
(10ξ,11β,13ξ,17α)-11,17-Dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxylic acid [ACD/IUPAC Name]
Acide (10ξ,11β,13ξ,17α)-11,17-dihydroxy-17-méthyl-3-oxoandrosta-1,4-diène-2-carboxylique [French] [ACD/IUPAC Name]
Androsta-1,4-diene-2-carboxylic acid, 11,17-dihydroxy-17-methyl-3-oxo-, (10ξ,11β,13ξ,17α)- [ACD/Index Name]
60023-92-9 [RN]
Roxibolone [INN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 572.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 314.3±26.6 °C
Index of Refraction: 1.610
Molar Refractivity: 95.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 274.6±5.0 cm3

Click to predict properties on the Chemicalize site


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