ChemSpider 2D Image | (11beta,16alpha)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate | C27H37FO5

(11β,16α)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate

  • Molecular FormulaC27H37FO5
  • Average mass460.578 Da
  • Monoisotopic mass460.262512 Da
  • ChemSpider ID114810883

  • 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-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-ylvalerat [German] [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate [ACD/IUPAC Name]
Pentanoic acid, (11β,16α)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
Valérate de (11β,16α)-9-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 302.6±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1100.71
ACD/KOC (pH 5.5): 5233.96
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1100.71
ACD/KOC (pH 7.4): 5233.95
Polar Surface Area: 81 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 385.3±5.0 cm3

Click to predict properties on the Chemicalize site


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