ChemSpider 2D Image | (16alpha)-9-Fluoro-16,17,21-trihydroxypregn-4-ene-3,20-dione | C21H29FO5

(16α)-9-Fluoro-16,17,21-trihydroxypregn-4-ene-3,20-dione

  • Molecular FormulaC21H29FO5
  • Average mass380.450 Da
  • Monoisotopic mass380.199890 Da
  • ChemSpider ID77499226

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(16α)-9-Fluor-16,17,21-trihydroxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(16α)-9-Fluoro-16,17,21-trihydroxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(16α)-9-Fluoro-16,17,21-trihydroxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 9-fluoro-16,17,21-trihydroxy-, (16α)- [ACD/Index Name]
337-02-0 [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: 543.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 282.5±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.56
ACD/KOC (pH 5.5): 200.62
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.56
ACD/KOC (pH 7.4): 200.61
Polar Surface Area: 95 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 286.1±5.0 cm3

Click to predict properties on the Chemicalize site


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