ChemSpider 2D Image | Butyl (6beta,9beta,11beta,14beta,16beta)-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-oate | C26H35FO5

Butyl (6β,9β,11β,14β,16β)-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-oate

  • Molecular FormulaC26H35FO5
  • Average mass446.552 Da
  • Monoisotopic mass446.246857 Da
  • ChemSpider ID107443626

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6β,9β,11β,14β,16β)-6-Fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-oate de butyle [French] [ACD/IUPAC Name]
Butyl (6β,9β,11β,14β,16β)-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-oate [ACD/IUPAC Name]
Butyl-(6β,9β,11β,14β,16β)-6-fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-oat [German] [ACD/IUPAC Name]
Pregna-1,4-dien-21-oic acid, 6-fluoro-11-hydroxy-16-methyl-3,20-dioxo-, butyl ester, (6β,9β,11β,14β,16β)- [ACD/Index Name]
915921-31-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.1±6.0 kJ/mol
Flash Point: 298.0±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 117.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 313.09
ACD/KOC (pH 5.5): 2128.17
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.09
ACD/KOC (pH 7.4): 2128.17
Polar Surface Area: 81 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 370.0±5.0 cm3

Click to predict properties on the Chemicalize site


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