ChemSpider 2D Image | (6alpha,8xi,9beta,11beta,14xi,16alpha)-9-Chloro-6-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione | C22H28ClFO4

(6α,8ξ,9β,11β,14ξ,16α)-9-Chloro-6-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H28ClFO4
  • Average mass410.907 Da
  • Monoisotopic mass410.166016 Da
  • ChemSpider ID32697365

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(6α,8ξ,9β,11β,14ξ,16α)-9-Chlor-6-fluor-11,21-dihydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(6α,8ξ,9β,11β,14ξ,16α)-9-Chloro-6-fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(6α,8ξ,9β,11β,14ξ,16α)-9-Chloro-6-fluoro-11,21-dihydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-chloro-6-fluoro-11,21-dihydroxy-16-methyl-, (6α,8ξ,9β,11β,14ξ,16α)- [ACD/Index Name]
4828-27-7 [RN]
clocortolone [INN] [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.0±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: 296.1±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.99
ACD/KOC (pH 5.5): 513.75
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.99
ACD/KOC (pH 7.4): 513.74
Polar Surface Area: 75 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 311.0±5.0 cm3

Click to predict properties on the Chemicalize site


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