ChemSpider 2D Image | (11beta,16beta,17alpha)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-oic acid | C22H27FO5

(11β,16β,17α)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-oic acid

  • Molecular FormulaC22H27FO5
  • Average mass390.445 Da
  • Monoisotopic mass390.184265 Da
  • ChemSpider ID107449593

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16β,17α)-9-Fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-säure [German] [ACD/IUPAC Name]
(11β,16β,17α)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-oic acid [ACD/IUPAC Name]
Acide (11β,16β,17α)-9-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-oïque [French] [ACD/IUPAC Name]
Pregna-1,4-dien-21-oic acid, 9-fluoro-11-hydroxy-16-methyl-3,20-dioxo-, (11β,16β,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: 538.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 279.2±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 296.0±5.0 cm3

Click to predict properties on the Chemicalize site


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