ChemSpider 2D Image | (8xi,9beta,11beta,14xi,16alpha)-21-Chloro-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-yl 2-furoate | C27H29ClO6

(8ξ,9β,11β,14ξ,16α)-21-Chloro-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-yl 2-furoate

  • Molecular FormulaC27H29ClO6
  • Average mass484.969 Da
  • Monoisotopic mass484.165253 Da
  • ChemSpider ID78429360
  • defined stereocentres - 6 of 8 defined stereocentres


More details:






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

(8ξ,9β,11β,14ξ,16α)-21-Chlor-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-yl-2-furoat [German] [ACD/IUPAC Name]
(8ξ,9β,11β,14ξ,16α)-21-Chloro-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17-yl 2-furoate [ACD/IUPAC Name]
2-Furancarboxylic acid, (8ξ,9β,11β,14ξ,16α)-21-chloro-9,11-epoxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
2-Furoate de (8ξ,9β,11β,14ξ,16α)-21-chloro-16-méthyl-3,20-dioxo-9,11-époxyprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
83881-09-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.5±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 903.71
ACD/KOC (pH 5.5): 4544.92
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 903.71
ACD/KOC (pH 7.4): 4544.92
Polar Surface Area: 86 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 357.9±5.0 cm3

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