ChemSpider 2D Image | Ethyl (8alpha,9beta,10alpha,11alpha,13alpha,14beta,16alpha,17alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl carbonate | C25H33FO7

Ethyl (8α,9β,10α,11α,13α,14β,16α,17α)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl carbonate

  • Molecular FormulaC25H33FO7
  • Average mass464.524 Da
  • Monoisotopic mass464.221039 Da
  • ChemSpider ID114553293

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Carbonate d'éthyle et de (8α,9β,10α,11α,13α,14β,16α,17α)-9-fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Carbonic acid, ethyl (8α,9β,10α,11α,13α,14β,16α,17α)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
Ethyl (8α,9β,10α,11α,13α,14β,16α,17α)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl carbonate [ACD/IUPAC Name]
Ethyl-(8α,9β,10α,11α,13α,14β,16α,17α)-9-fluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-ylcarbonat [German] [ACD/IUPAC 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: 591.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 311.7±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 116.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.35
ACD/KOC (pH 5.5): 730.94
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.35
ACD/KOC (pH 7.4): 730.92
Polar Surface Area: 110 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 356.1±5.0 cm3

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