ChemSpider 2D Image | Fluoromethyl (8xi,9xi,10xi,13xi,14xi)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate | C24H31FO7

Fluoromethyl (8ξ,9ξ,10ξ,13ξ,14ξ)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate

  • Molecular FormulaC24H31FO7
  • Average mass450.497 Da
  • Monoisotopic mass450.205383 Da
  • ChemSpider ID28682143

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ)-17-[(Éthoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diène-17-carboxylate de fluorométhyle [French] [ACD/IUPAC Name]
Androsta-1,4-diene-17-carboxylic acid, 17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-, fluoromethyl ester, (8ξ,9ξ,10ξ,13ξ,14ξ)- [ACD/Index Name]
Fluormethyl-(8ξ,9ξ,10ξ,13ξ,14ξ)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-dien-17-carboxylat [German] [ACD/IUPAC Name]
Fluoromethyl (8ξ,9ξ,10ξ,13ξ,14ξ)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate [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: 594.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 313.1±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.25
ACD/KOC (pH 5.5): 1066.41
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.25
ACD/KOC (pH 7.4): 1066.41
Polar Surface Area: 99 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 348.3±5.0 cm3

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