ChemSpider 2D Image | (9xi,11beta)-9-Fluoro-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate | C23H31FO5

(9ξ,11β)-9-Fluoro-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate

  • Molecular FormulaC23H31FO5
  • Average mass406.488 Da
  • Monoisotopic mass406.215546 Da
  • ChemSpider ID88297560

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1R,3aS,3bS,9aS,10S,11aS)-1-acetyl-9b-fluoro-10-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
(1R,3aS,3bS,9aS,10S,11aS)-1-acetyl-9b-fluoro-10-hydroxy-9a,11a-dimethyl-7-oxo-2H,3H,3aH,3bH,4H,5H,8H,9H,10H,11H-cyclopenta[a]phenanthren-1-yl acetate
(9ξ,11β)-9-Fluor-11-hydroxy-3,20-dioxopregn-4-en-17-yl-acetat [German] [ACD/IUPAC Name]
(9ξ,11β)-9-Fluoro-11-hydroxy-3,20-dioxopregn-4-en-17-yl acetate [ACD/IUPAC Name]
2529-45-5 [RN]
Acétate de (9ξ,11β)-9-fluoro-11-hydroxy-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (9ξ,11β)- [ACD/Index Name]
FLUOROGESTONE ACETATE
Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11b)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.2±6.0 kJ/mol
Flash Point: 272.3±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.86
ACD/KOC (pH 5.5): 504.05
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 41.86
ACD/KOC (pH 7.4): 504.05
Polar Surface Area: 81 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 326.7±5.0 cm3

Click to predict properties on the Chemicalize site


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