ChemSpider 2D Image | (11beta,16alpha)-9-Fluoro-11,17,21-trihydroxy-21-methoxy-16-methylpregna-1,4-diene-3,20-dione | C23H31FO6

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

  • Molecular FormulaC23H31FO6
  • Average mass422.487 Da
  • Monoisotopic mass422.210480 Da
  • ChemSpider ID107447372

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(11β,16α)-9-Fluor-11,17,21-trihydroxy-21-methoxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17,21-trihydroxy-21-methoxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17,21-trihydroxy-21-méthoxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-21-methoxy-16-methyl-, (11β,16α)- [ACD/Index Name]
473273-03-9 [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: 562.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 294.1±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.15
ACD/KOC (pH 5.5): 243.48
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.14
ACD/KOC (pH 7.4): 243.39
Polar Surface Area: 104 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 319.0±5.0 cm3

Click to predict properties on the Chemicalize site


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