ChemSpider 2D Image | (9xi,11beta)-6-Chloro-11,17,21-trihydroxypregna-1,4,6-triene-3,20-dione | C21H25ClO5

(9ξ,11β)-6-Chloro-11,17,21-trihydroxypregna-1,4,6-triene-3,20-dione

  • Molecular FormulaC21H25ClO5
  • Average mass392.873 Da
  • Monoisotopic mass392.139038 Da
  • ChemSpider ID58190523
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(9ξ,11β)-6-Chlor-11,17,21-trihydroxypregna-1,4,6-trien-3,20-dion [German] [ACD/IUPAC Name]
(9ξ,11β)-6-Chloro-11,17,21-trihydroxypregna-1,4,6-triene-3,20-dione [ACD/IUPAC Name]
(9ξ,11β)-6-Chloro-11,17,21-trihydroxyprégna-1,4,6-triène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4,6-triene-3,20-dione, 6-chloro-11,17,21-trihydroxy-, (9ξ,11β)- [ACD/Index Name]
5251-34-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 600.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.32
ACD/KOC (pH 5.5): 172.06
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.32
ACD/KOC (pH 7.4): 172.06
Polar Surface Area: 95 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 279.2±5.0 cm3

Click to predict properties on the Chemicalize site






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