ChemSpider 2D Image | (9xi,11beta)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate | C23H31FO6

(9ξ,11β)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate

  • Molecular FormulaC23H31FO6
  • Average mass422.487 Da
  • Monoisotopic mass422.210480 Da
  • ChemSpider ID58801772

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(9ξ,11β)-9-Fluor-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl-acetat [German] [ACD/IUPAC Name]
(9ξ,11β)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate [ACD/IUPAC Name]
Acétate de (9ξ,11β)-9-fluoro-11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (9ξ,11β)- [ACD/Index Name]
514-36-3 [RN]
MFCD00864160 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.9±6.0 kJ/mol
Flash Point: 301.6±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.94
ACD/KOC (pH 5.5): 396.54
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.94
ACD/KOC (pH 7.4): 396.53
Polar Surface Area: 101 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 324.0±5.0 cm3

Click to predict properties on the Chemicalize site


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