ChemSpider 2D Image | (8alpha,9beta,10alpha,11beta,17alpha)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate | C23H29FO6

(8α,9β,10α,11β,17α)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate

  • Molecular FormulaC23H29FO6
  • Average mass420.471 Da
  • Monoisotopic mass420.194824 Da
  • ChemSpider ID62402123

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,9β,10α,11α,14β,17α)-9-Fluor-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl-acetat [German] [ACD/IUPAC Name]
(8α,9β,10α,11α,14β,17α)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate [ACD/IUPAC Name]
(8α,9β,10α,11β,17α)-9-Fluor-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl-acetat [German] [ACD/IUPAC Name]
(8α,9β,10α,11β,17α)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate [ACD/IUPAC Name]
Acétate de (8α,9β,10α,11α,14β,17α)-9-fluoro-11,17-dihydroxy-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Acétate de (8α,9β,10α,11β,17α)-9-fluoro-11,17-dihydroxy-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (8α,9β,10α,11α,14β,17α)- [ACD/Index Name]
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (8α,9β,10α,11β,17α)- [ACD/Index 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: 576.5±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: 302.5±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.91
ACD/KOC (pH 5.5): 451.71
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.91
ACD/KOC (pH 7.4): 451.70
Polar Surface Area: 101 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 317.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement