ChemSpider 2D Image | Chloromethyl (9xi,14xi,17alpha)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate | C24H31ClO7

Chloromethyl (9ξ,14ξ,17α)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate

  • Molecular FormulaC24H31ClO7
  • Average mass466.952 Da
  • Monoisotopic mass466.175842 Da
  • ChemSpider ID78432765

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(9ξ,14ξ,17α)-17-[(Éthoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diène-17-carboxylate de chlorométhyle [French] [ACD/IUPAC Name]
Androsta-1,4-diene-17-carboxylic acid, 17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-, chloromethyl ester, (9ξ,14ξ,17α)- [ACD/Index Name]
Chlormethyl-(9ξ,14ξ,17α)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-dien-17-carboxylat [German] [ACD/IUPAC Name]
Chloromethyl (9ξ,14ξ,17α)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate [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: 600.1±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: 316.7±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 116.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 289.65
ACD/KOC (pH 5.5): 2012.85
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 289.65
ACD/KOC (pH 7.4): 2012.85
Polar Surface Area: 99 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 354.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement