ChemSpider 2D Image | (11beta,13xi,16alpha)-9-Fluoro-11,16,17-trihydroxypregna-1,4-diene-3,20-dione | C21H27FO5

(11β,13ξ,16α)-9-Fluoro-11,16,17-trihydroxypregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H27FO5
  • Average mass378.435 Da
  • Monoisotopic mass378.184265 Da
  • ChemSpider ID58817766

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(11β,13ξ,16α)-9-Fluor-11,16,17-trihydroxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(11β,13ξ,16α)-9-Fluoro-11,16,17-trihydroxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(11β,13ξ,16α)-9-Fluoro-11,16,17-trihydroxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17-trihydroxy-, (11β,13ξ,16α)- [ACD/Index Name]
595-52-8 [RN]
descinolone [INN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 544.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 283.1±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: 0.82
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.14
ACD/KOC (pH 5.5): 127.61
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.14
ACD/KOC (pH 7.4): 127.60
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

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