ChemSpider 2D Image | (11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl vinyl carbonate | C25H31FO7

(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl vinyl carbonate

  • Molecular FormulaC25H31FO7
  • Average mass462.508 Da
  • Monoisotopic mass462.205383 Da
  • ChemSpider ID27471599

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16α)-9-Fluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl-vinylcarbonat [German] [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl vinyl carbonate [ACD/IUPAC Name]
Carbonate de (11β,16α)-9-fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle et de vinyle [French] [ACD/IUPAC Name]
Carbonic acid, ethenyl (11β,16α)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.9±6.0 kJ/mol
Flash Point: 322.9±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.08
ACD/KOC (pH 5.5): 773.08
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.08
ACD/KOC (pH 7.4): 773.05
Polar Surface Area: 110 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 351.4±5.0 cm3

Click to predict properties on the Chemicalize site


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