ChemSpider 2D Image | (6alpha,9beta,10alpha,11beta,13alpha,16alpha)-9-Chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate | C24H30ClFO5

(6α,9β,10α,11β,13α,16α)-9-Chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate

  • Molecular FormulaC24H30ClFO5
  • Average mass452.943 Da
  • Monoisotopic mass452.176575 Da
  • ChemSpider ID110805301

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6α,9β,10α,11β,13α,16α)-9-Chlor-6-fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl-acetat [German] [ACD/IUPAC Name]
(6α,9β,10α,11β,13α,16α)-9-Chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate [ACD/IUPAC Name]
Acétate de (6α,9β,10α,11β,13α,16α)-9-chloro-6-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-chloro-6-fluoro-11-hydroxy-16-methyl-, (6α,9β,10α,11β,13α,16α)- [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: 578.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 303.4±30.1 °C
Index of Refraction: 1.562
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: 3.13
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.14
ACD/KOC (pH 5.5): 967.90
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.14
ACD/KOC (pH 7.4): 967.90
Polar Surface Area: 81 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 348.8±5.0 cm3

Click to predict properties on the Chemicalize site


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