ChemSpider 2D Image | (8xi,11beta,16alpha,17alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid | C21H27FO5

(8ξ,11β,16α,17α)-9-Fluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid

  • Molecular FormulaC21H27FO5
  • Average mass378.435 Da
  • Monoisotopic mass378.184265 Da
  • ChemSpider ID23250822

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(8ξ,11β,16α,17α)-9-Fluor-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-carbonsäure [German] [ACD/IUPAC Name]
(8ξ,11β,16α,17α)-9-Fluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid [ACD/IUPAC Name]
Acide (8ξ,11β,16α,17α)-9-fluoro-11,17-dihydroxy-16-méthyl-3-oxoandrosta-1,4-diène-17-carboxylique [French] [ACD/IUPAC Name]
Androsta-1,4-diene-17-carboxylic acid, 9-fluoro-11,17-dihydroxy-16-methyl-3-oxo-, (8ξ,11β,16α,17α)- [ACD/Index Name]
(9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid
CHEMBL433586
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL433586/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 296.6±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 95.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 280.1±5.0 cm3

Click to predict properties on the Chemicalize site


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