ChemSpider 2D Image | (8xi,9xi,14xi)-6-Chloro-3,20-dioxopregna-1,4,6-trien-17-yl acetate | C23H27ClO4

(8ξ,9ξ,14ξ)-6-Chloro-3,20-dioxopregna-1,4,6-trien-17-yl acetate

  • Molecular FormulaC23H27ClO4
  • Average mass402.911 Da
  • Monoisotopic mass402.159790 Da
  • ChemSpider ID21254000

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ)-6-Chlor-3,20-dioxopregna-1,4,6-trien-17-yl-acetat [German] [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-6-Chloro-3,20-dioxopregna-1,4,6-trien-17-yl acetate [ACD/IUPAC Name]
Acétate de (8ξ,9ξ,14ξ)-6-chloro-3,20-dioxoprégna-1,4,6-trién-17-yle [French] [ACD/IUPAC Name]
Pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-, (8ξ,9ξ,14ξ)- [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: 519.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 177.7±29.1 °C
Index of Refraction: 1.576
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 441.75
ACD/KOC (pH 5.5): 2722.85
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 441.75
ACD/KOC (pH 7.4): 2722.85
Polar Surface Area: 60 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 321.8±5.0 cm3

Click to predict properties on the Chemicalize site


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