ChemSpider 2D Image | 14-fluoro-11?,17,21-trihydroxy-16?-methylpregna-1,4-diene-3,20-dione | C22H29FO5

14-fluoro-11?,17,21-trihydroxy-16?-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H29FO5
  • Average mass392.461 Da
  • Monoisotopic mass392.199890 Da
  • ChemSpider ID32700932

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16α)-14-Fluor-11,17,21-trihydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(11β,16α)-14-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(11β,16α)-14-Fluoro-11,17,21-trihydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
14-fluoro-11?,17,21-trihydroxy-16?-methylpregna-1,4-diene-3,20-dione
Pregna-1,4-diene-3,20-dione, 14-fluoro-11,17,21-trihydroxy-16-methyl-, (11β,16α)- [ACD/Index Name]
14-FLUORO-11β,17,21-TRIHYDROXY-16α-METHYLPREGNA-1,4-DIENE-3,20-DIONE

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

RNO81M817D [DBID]
UNII:RNO81M817D [DBID]
UNII-RNO81M817D [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 572.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 299.8±30.1 °C
Index of Refraction: 1.592
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: 1.88
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.69
ACD/KOC (pH 5.5): 293.85
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.69
ACD/KOC (pH 7.4): 293.83
Polar Surface Area: 95 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 296.2±5.0 cm3

Click to predict properties on the Chemicalize site


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