ChemSpider 2D Image | (11beta,16alpha,17alpha)-9-Fluoro-11-hydroxy-16-methyl-17-[(methylsulfanyl)carbonyl]-3-oxoandrosta-1,4-dien-17-yl acetate | C24H31FO5S

(11β,16α,17α)-9-Fluoro-11-hydroxy-16-methyl-17-[(methylsulfanyl)carbonyl]-3-oxoandrosta-1,4-dien-17-yl acetate

  • Molecular FormulaC24H31FO5S
  • Average mass450.563 Da
  • Monoisotopic mass450.187622 Da
  • ChemSpider ID28529132

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16α,17α)-9-Fluor-11-hydroxy-16-methyl-17-[(methylsulfanyl)carbonyl]-3-oxoandrosta-1,4-dien-17-yl-acetat [German] [ACD/IUPAC Name]
(11β,16α,17α)-9-Fluoro-11-hydroxy-16-methyl-17-[(methylsulfanyl)carbonyl]-3-oxoandrosta-1,4-dien-17-yl acetate [ACD/IUPAC Name]
Acétate de (11β,16α,17α)-9-fluoro-11-hydroxy-16-méthyl-17-[(méthylsulfanyl)carbonyl]-3-oxoandrosta-1,4-dién-17-yle [French] [ACD/IUPAC Name]
Androsta-1,4-diene-17-carbothioic acid, 17-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-3-oxo-, S-methyl ester, (11β,16α,17α)- [ACD/Index Name]
79578-14-6 [RN]
timobesone acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 290.9±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 247.60
ACD/KOC (pH 5.5): 1799.07
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 247.60
ACD/KOC (pH 7.4): 1799.07
Polar Surface Area: 106 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 350.5±5.0 cm3

Click to predict properties on the Chemicalize site


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