ChemSpider 2D Image | (6beta,8alpha,10alpha,11alpha,13alpha,14beta,16alpha,17alpha)-6-Fluoro-21-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-yl propionate | C25H31FO6

(6β,8α,10α,11α,13α,14β,16α,17α)-6-Fluoro-21-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-yl propionate

  • Molecular FormulaC25H31FO6
  • Average mass446.508 Da
  • Monoisotopic mass446.210480 Da
  • ChemSpider ID111312293

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6β,8α,10α,11α,13α,14β,16α,17α)-6-Fluor-21-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-ylpropionat [German] [ACD/IUPAC Name]
(6β,8α,10α,11α,13α,14β,16α,17α)-6-Fluoro-21-hydroxy-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-yl propionate [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-6-fluoro-21-hydroxy-16-methyl-17-(1-oxopropoxy)-, (6β,8α,10α,11α,13α,14β,16α,17α)- [ACD/Index Name]
Propionate de (6β,8α,10α,11α,13α,14β,16α,17α)-6-fluoro-21-hydroxy-16-méthyl-3,20-dioxo-9,11-époxyprégna-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: 1.3±0.1 g/cm3
Boiling Point: 576.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 302.3±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.52
ACD/KOC (pH 5.5): 543.65
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.52
ACD/KOC (pH 7.4): 543.65
Polar Surface Area: 93 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 340.7±5.0 cm3

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