ChemSpider 2D Image | (8xi,10xi,11beta,13xi,14xi,16beta)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate | C24H30ClFO5

(8ξ,10ξ,11β,13ξ,14ξ,16β)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate

  • Molecular FormulaC24H30ClFO5
  • Average mass452.943 Da
  • Monoisotopic mass452.176575 Da
  • ChemSpider ID23195797

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(8ξ,10ξ,11β,13ξ,14ξ,16β)-21-Chlor-9-fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl-acetat [German] [ACD/IUPAC Name]
(8ξ,10ξ,11β,13ξ,14ξ,16β)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl acetate [ACD/IUPAC Name]
Acétate de (8ξ,10ξ,11β,13ξ,14ξ,16β)-21-chloro-9-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-21-chloro-9-fluoro-11-hydroxy-16-methyl-, (8ξ,10ξ,11β,13ξ,14ξ,16β)- [ACD/Index Name]
(1R,13S,14R,17S)-14-(2-chloroacetyl)-1-fluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-14-yl acetate
Acetic acid 17-(2-chloro-acetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 558.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.6±6.0 kJ/mol
Flash Point: 291.8±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.68
ACD/KOC (pH 5.5): 1081.98
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.68
ACD/KOC (pH 7.4): 1081.98
Polar Surface Area: 81 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 348.0±5.0 cm3

Click to predict properties on the Chemicalize site


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