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

Chloromethyl (11β,17β)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate

  • Molecular FormulaC24H31ClO7
  • Average mass466.952 Da
  • Monoisotopic mass466.175842 Da
  • ChemSpider ID18657011

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11β,17β)-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, (11β,17β)- [ACD/Index Name]
Chlormethyl-(11β,17β)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-dien-17-carboxylat [German] [ACD/IUPAC Name]
Chloromethyl (11β,17β)-17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate [ACD/IUPAC Name]
(11b,17a)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-androsta-1,4-diene-17-carboxylic acid chloromethyl ester
(8S,9S,10R,11S,13S,14S,17S)-Chloromethyl 17-((ethoxycarbonyl)oxy)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylate
chloromethyl (1S,3aS,3bS,9aR,9bS,10S,11aS)-1-[(ethoxycarbonyl)oxy]-10-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1-carboxylate
chloromethyl (1S,3aS,3bS,9aR,9bS,10S,11aS)-1-[(ethoxycarbonyl)oxy]-10-hydroxy-9a,11a-dimethyl-7-oxo-2H,3H,3aH,3bH,4H,5H,9bH,10H,11H-cyclopenta[a]phenanthrene-1-carboxylate
chloromethyl (8S,9S,10R,11S,13S,14S,17S)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
Loteprednol Etabonate
More...

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