ChemSpider 2D Image | (17beta)-4-Chloro-17-methylandrosta-1,4-diene-3,17-diol | C20H29ClO2

(17β)-4-Chloro-17-methylandrosta-1,4-diene-3,17-diol

  • Molecular FormulaC20H29ClO2
  • Average mass336.896 Da
  • Monoisotopic mass336.185608 Da
  • ChemSpider ID58781703

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(17β)-4-Chlor-17-methylandrosta-1,4-dien-3,17-diol [German] [ACD/IUPAC Name]
(17β)-4-Chloro-17-methylandrosta-1,4-diene-3,17-diol [ACD/IUPAC Name]
(17β)-4-Chloro-17-méthylandrosta-1,4-diène-3,17-diol [French] [ACD/IUPAC Name]
Androsta-1,4-diene-3,17-diol, 4-chloro-17-methyl-, (17β)- [ACD/Index Name]
(8R,9S,10R,13S,14S,17S)-4-chloro-10,13,17-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,17-diol
4-Chloro-17α-methyl-androsta-1,4-diene-3,17-diol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 465.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 235.3±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2519.77
ACD/KOC (pH 5.5): 9468.70
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2519.75
ACD/KOC (pH 7.4): 9468.61
Polar Surface Area: 40 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 278.6±5.0 cm3

Click to predict properties on the Chemicalize site


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