ChemSpider 2D Image | (11beta,16beta)-9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al | C22H27ClO5

(11β,16β)-9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al

  • Molecular FormulaC22H27ClO5
  • Average mass406.900 Da
  • Monoisotopic mass406.154694 Da
  • ChemSpider ID58781939

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16β)-9-Chlor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al [German] [ACD/IUPAC Name]
(11β,16β)-9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al [ACD/IUPAC Name]
(11β,16β)-9-Chloro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-al [French] [ACD/IUPAC Name]
Pregna-1,4-dien-21-al, 9-chloro-11,17-dihydroxy-16-methyl-3,20-dioxo-, (11β,16β)- [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: 570.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 299.1±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.38
ACD/KOC (pH 5.5): 362.16
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.37
ACD/KOC (pH 7.4): 362.14
Polar Surface Area: 92 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 302.3±5.0 cm3

Click to predict properties on the Chemicalize site


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