ChemSpider 2D Image | (11beta,17beta)-4-Chloro-11-hydroxy-3-oxoandrost-4-en-17-yl acetate | C21H29ClO4

(11β,17β)-4-Chloro-11-hydroxy-3-oxoandrost-4-en-17-yl acetate

  • Molecular FormulaC21H29ClO4
  • Average mass380.906 Da
  • Monoisotopic mass380.175446 Da
  • ChemSpider ID24704159

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11β,17β)-4-Chlor-11-hydroxy-3-oxoandrost-4-en-17-yl-acetat [German] [ACD/IUPAC Name]
(11β,17β)-4-Chloro-11-hydroxy-3-oxoandrost-4-en-17-yl acetate [ACD/IUPAC Name]
Acétate de (11β,17β)-4-chloro-11-hydroxy-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
Androst-4-en-3-one, 17-(acetyloxy)-4-chloro-11-hydroxy-, (11β,17β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL487928/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 495.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 253.5±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.16
ACD/KOC (pH 5.5): 1533.93
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.16
ACD/KOC (pH 7.4): 1533.93
Polar Surface Area: 64 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 304.1±5.0 cm3

Click to predict properties on the Chemicalize site


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