ChemSpider 2D Image | (8alpha,10alpha,11alpha,13alpha,16alpha,17alpha)-9-Chloro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate | C25H33ClO6

(8α,10α,11α,13α,16α,17α)-9-Chloro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate

  • Molecular FormulaC25H33ClO6
  • Average mass464.979 Da
  • Monoisotopic mass464.196564 Da
  • ChemSpider ID111311926

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(8α,10α,11α,13α,16α,17α)-9-Chlor-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-ylpropionat [German] [ACD/IUPAC Name]
(8α,10α,11α,13α,16α,17α)-9-Chloro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-chloro-11,21-dihydroxy-16-methyl-17-(1-oxopropoxy)-, (8α,10α,11α,13α,16α,17α)- [ACD/Index Name]
Propionate de (8α,10α,11α,13α,16α,17α)-9-chloro-11,21-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC 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: 608.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 322.0±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 251.56
ACD/KOC (pH 5.5): 1819.63
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 251.56
ACD/KOC (pH 7.4): 1819.62
Polar Surface Area: 101 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 356.5±5.0 cm3

Click to predict properties on the Chemicalize site


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