ChemSpider 2D Image | (13xi,16beta)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione | C22H26ClFO4

(13ξ,16β)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione

  • Molecular FormulaC22H26ClFO4
  • Average mass408.891 Da
  • Monoisotopic mass408.150360 Da
  • ChemSpider ID58817426

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(13ξ,16β)-21-Chlor-9-fluor-17-hydroxy-16-methylpregna-1,4-dien-3,11,20-trion [German] [ACD/IUPAC Name]
(13ξ,16β)-21-Chloro-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,11,20-trione [ACD/IUPAC Name]
(13ξ,16β)-21-Chloro-9-fluoro-17-hydroxy-16-méthylprégna-1,4-diène-3,11,20-trione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-17-hydroxy-16-methyl-, (13ξ,16β)- [ACD/Index Name]
54063-32-0 [RN]
clobetasone [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: 549.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 285.8±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.29
ACD/KOC (pH 5.5): 730.49
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.29
ACD/KOC (pH 7.4): 730.46
Polar Surface Area: 71 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 309.1±5.0 cm3

Click to predict properties on the Chemicalize site


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