ChemSpider 2D Image | (8alpha,9beta,11beta,16beta)-9-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione | C22H31FO5

(8α,9β,11β,16β)-9-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione

  • Molecular FormulaC22H31FO5
  • Average mass394.477 Da
  • Monoisotopic mass394.215546 Da
  • ChemSpider ID107562178

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(8α,9β,11β,16β)-9-Fluor-11,17,21-trihydroxy-16-methylpregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(8α,9β,11β,16β)-9-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione [ACD/IUPAC Name]
(8α,9β,11β,16β)-9-Fluoro-11,17,21-trihydroxy-16-méthylprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (8α,9β,11β,16β)- [ACD/Index Name]
1,2-Dihydro-βmethasone
560-34-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 296.5±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 100.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.71
ACD/KOC (pH 5.5): 249.97
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.71
ACD/KOC (pH 7.4): 249.96
Polar Surface Area: 95 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 302.9±5.0 cm3

Click to predict properties on the Chemicalize site


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