ChemSpider 2D Image | (6beta,8alpha,9beta,11beta,13alpha,16alpha)-6-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione | C22H29FO5

(6β,8α,9β,11β,13α,16α)-6-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H29FO5
  • Average mass392.461 Da
  • Monoisotopic mass392.199890 Da
  • ChemSpider ID24541037
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(6β,8α,9β,11β,13α,16α)-6-Fluor-11,17,21-trihydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(6β,8α,9β,11β,13α,16α)-6-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(6β,8α,9β,11β,13α,16α)-6-Fluoro-11,17,21-trihydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 6-fluoro-11,17,21-trihydroxy-16-methyl-, (6β,8α,9β,11β,13α,16α)- [ACD/Index Name]
(11S,17S,1R,2R,8R,10R,13R,14R,15R)-8-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-3,6-dien-5-one
paramethasone [INN] [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 573.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.7±6.0 kJ/mol
Flash Point: 300.6±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.14
ACD/KOC (pH 5.5): 219.95
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.14
ACD/KOC (pH 7.4): 219.95
Polar Surface Area: 95 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 297.0±5.0 cm3

Click to predict properties on the Chemicalize site






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