ChemSpider 2D Image | (6alpha,13xi)-6-Chloro-3,20-dioxopregna-1,4-dien-17-yl acetate | C23H29ClO4

(6α,13ξ)-6-Chloro-3,20-dioxopregna-1,4-dien-17-yl acetate

  • Molecular FormulaC23H29ClO4
  • Average mass404.927 Da
  • Monoisotopic mass404.175446 Da
  • ChemSpider ID58816103

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(6α,13ξ)-6-Chlor-3,20-dioxopregna-1,4-dien-17-yl-acetat [German] [ACD/IUPAC Name]
(6α,13ξ)-6-Chloro-3,20-dioxopregna-1,4-dien-17-yl acetate [ACD/IUPAC Name]
Acétate de (6α,13ξ)-6-chloro-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-6-chloro-, (6α,13ξ)- [ACD/Index Name]
151-69-9 [RN]
Cismadinone [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 178.6±29.1 °C
Index of Refraction: 1.562
Molar Refractivity: 106.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 316.76
ACD/KOC (pH 5.5): 2145.97
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 316.76
ACD/KOC (pH 7.4): 2145.97
Polar Surface Area: 60 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 329.3±5.0 cm3

Click to predict properties on the Chemicalize site


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