ChemSpider 2D Image | (11beta,13xi,16beta)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate | C28H39FO6

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

  • Molecular FormulaC28H39FO6
  • Average mass490.604 Da
  • Monoisotopic mass490.273071 Da
  • ChemSpider ID58817397

  • 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-yl-3,3-dimethylbutanoat [German] [ACD/IUPAC Name]
(11β,13ξ,16β)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 3,3-dimethylbutanoate [ACD/IUPAC Name]
3,3-Diméthylbutanoate de (11β,13ξ,16β)-9-fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3,3-dimethyl-, (11β,13ξ,16β)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
52668-06-1 [RN]
9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 321.7±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 965.30
ACD/KOC (pH 5.5): 4764.54
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 965.27
ACD/KOC (pH 7.4): 4764.41
Polar Surface Area: 101 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 398.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement