ChemSpider 2D Image | Chloromethyl (14beta,17beta)-11,17-dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylate | C21H27ClO5

Chloromethyl (14β,17β)-11,17-dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylate

  • Molecular FormulaC21H27ClO5
  • Average mass394.889 Da
  • Monoisotopic mass394.154694 Da
  • ChemSpider ID114814623

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(14β,17β)-11,17-Dihydroxy-3-oxoandrosta-1,4-diène-17-carboxylate de chlorométhyle [French] [ACD/IUPAC Name]
Androsta-1,4-diene-17-carboxylic acid, 11,17-dihydroxy-3-oxo-, chloromethyl ester, (14β,17β)- [ACD/Index Name]
Chlormethyl-(14β,17β)-11,17-dihydroxy-3-oxoandrosta-1,4-dien-17-carboxylat [German] [ACD/IUPAC Name]
Chloromethyl (14β,17β)-11,17-dihydroxy-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: 531.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 275.0±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.01
ACD/KOC (pH 5.5): 683.14
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.01
ACD/KOC (pH 7.4): 683.13
Polar Surface Area: 84 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 294.7±5.0 cm3

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