ChemSpider 2D Image | (6alpha,11beta,16alpha,17alpha)-17-({[(4-Ethylcyclohexyl)oxy]carbonyl}oxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid | C30H40F2O7

(6α,11β,16α,17α)-17-({[(4-Ethylcyclohexyl)oxy]carbonyl}oxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid

  • Molecular FormulaC30H40F2O7
  • Average mass550.631 Da
  • Monoisotopic mass550.274231 Da
  • ChemSpider ID9810077

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(6α,11β,16α,17α)-17-({[(4-Ethylcyclohexyl)oxy]carbonyl}oxy)-6,9-difluor-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-carbonsäure [German] [ACD/IUPAC Name]
(6α,11β,16α,17α)-17-({[(4-Ethylcyclohexyl)oxy]carbonyl}oxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid [ACD/IUPAC Name]
Acide (6α,11β,16α,17α)-17-({[(4-éthylcyclohexyl)oxy]carbonyl}oxy)-6,9-difluoro-11-hydroxy-16-méthyl-3-oxoandrosta-1,4-diène-17-carboxylique [French] [ACD/IUPAC Name]
Androsta-1,4-diene-17-carboxylic acid, 17-[[[(4-ethylcyclohexyl)oxy]carbonyl]oxy]-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-, (6α,11β,16α,17α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.1±6.0 kJ/mol
Flash Point: 365.0±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 9.04
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 110 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 424.4±5.0 cm3

Click to predict properties on the Chemicalize site


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