ChemSpider 2D Image | (8xi,10xi,11beta,13xi,14xi,16beta)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl chloroacetate | C24H29Cl2FO5

(8ξ,10ξ,11β,13ξ,14ξ,16β)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl chloroacetate

  • Molecular FormulaC24H29Cl2FO5
  • Average mass487.388 Da
  • Monoisotopic mass486.137604 Da
  • ChemSpider ID23171637

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(8ξ,10ξ,11β,13ξ,14ξ,16β)-21-Chlor-9-fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl-chloracetat [German] [ACD/IUPAC Name]
(8ξ,10ξ,11β,13ξ,14ξ,16β)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl chloroacetate [ACD/IUPAC Name]
Acetic acid, 2-chloro-, (8ξ,10ξ,11β,13ξ,14ξ,16β)-21-chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
Chloroacétate de (8ξ,10ξ,11β,13ξ,14ξ,16β)-21-chloro-9-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
Chloro-acetic acid 17-(2-chloro-acetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 590.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.1±6.0 kJ/mol
Flash Point: 310.7±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 234.24
ACD/KOC (pH 5.5): 1729.07
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 234.24
ACD/KOC (pH 7.4): 1729.07
Polar Surface Area: 81 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 359.3±5.0 cm3

Click to predict properties on the Chemicalize site


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