ChemSpider 2D Image | (11beta,13xi,16beta)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl pivalate | C27H37FO6

(11β,13ξ,16β)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl pivalate

  • Molecular FormulaC27H37FO6
  • Average mass476.578 Da
  • Monoisotopic mass476.257416 Da
  • ChemSpider ID58817393

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(11β,13ξ,16β)-9-Fluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-ylpivalat [German] [ACD/IUPAC Name]
(11β,13ξ,16β)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl pivalate [ACD/IUPAC Name]
Pivalate de (11β,13ξ,16β)-9-fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (11β,13ξ,16β)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
52619-02-0 [RN]
9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-pivalate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 598.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 315.8±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 630.33
ACD/KOC (pH 5.5): 3511.81
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 630.31
ACD/KOC (pH 7.4): 3511.72
Polar Surface Area: 101 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 382.8±5.0 cm3

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