ChemSpider 2D Image | (8xi,10xi,13xi,17alpha)-6-Chloro-3,20-dioxopregn-4-en-17-yl acetate | C23H31ClO4

(8ξ,10ξ,13ξ,17α)-6-Chloro-3,20-dioxopregn-4-en-17-yl acetate

  • Molecular FormulaC23H31ClO4
  • Average mass406.943 Da
  • Monoisotopic mass406.191101 Da
  • ChemSpider ID23089253

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(8ξ,10ξ,13ξ,17α)-6-Chlor-3,20-dioxopregn-4-en-17-yl-acetat [German] [ACD/IUPAC Name]
(8ξ,10ξ,13ξ,17α)-6-Chloro-3,20-dioxopregn-4-en-17-yl acetate [ACD/IUPAC Name]
Acétate de (8ξ,10ξ,13ξ,17α)-6-chloro-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-chloro-, (8ξ,10ξ,13ξ,17α)- [ACD/Index Name]
302-22-7 [RN]
MFCD00056471 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.3±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: 174.0±29.1 °C
Index of Refraction: 1.549
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 434.02
ACD/KOC (pH 5.5): 2688.65
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 434.02
ACD/KOC (pH 7.4): 2688.65
Polar Surface Area: 60 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 335.9±5.0 cm3

Click to predict properties on the Chemicalize site


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