ChemSpider 2D Image | (8xi,14xi,16beta)-9-Fluoro-11-hydroxy-21-methoxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate | C26H35FO6

(8ξ,14ξ,16β)-9-Fluoro-11-hydroxy-21-methoxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate

  • Molecular FormulaC26H35FO6
  • Average mass462.551 Da
  • Monoisotopic mass462.241760 Da
  • ChemSpider ID28528377

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(8ξ,14ξ,16β)-9-Fluor-11-hydroxy-21-methoxy-16-methyl-3,20-dioxopregna-1,4-dien-17-ylpropionat [German] [ACD/IUPAC Name]
(8ξ,14ξ,16β)-9-Fluoro-11-hydroxy-21-methoxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-21-methoxy-16-methyl-17-(1-oxopropoxy)-, (8ξ,14ξ,16β)- [ACD/Index Name]
Propionate de (8ξ,14ξ,16β)-9-fluoro-11-hydroxy-21-méthoxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-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: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 304.9±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.14
ACD/KOC (pH 5.5): 1020.51
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.14
ACD/KOC (pH 7.4): 1020.50
Polar Surface Area: 90 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 375.0±5.0 cm3

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