ChemSpider 2D Image | (7beta,17alpha)-7-Chloro-17-hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one | C21H27ClO2

(7β,17α)-7-Chloro-17-hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one

  • Molecular FormulaC21H27ClO2
  • Average mass346.891 Da
  • Monoisotopic mass346.169952 Da
  • ChemSpider ID23212840

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7β,17α)-7-Chlor-17-hydroxy-7-methyl-19-norpregn-5(10)-en-20-in-3-on [German] [ACD/IUPAC Name]
(7β,17α)-7-Chloro-17-hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one [ACD/IUPAC Name]
(7β,17α)-7-Chloro-17-hydroxy-7-méthyl-19-norprégn-5(10)-én-20-yn-3-one [French] [ACD/IUPAC Name]
Estr-5(10)-en-3-one, 7-chloro-17-ethynyl-17-hydroxy-7-methyl-, (7β,17β)- [ACD/Index Name]
(7S,8R,9S,13S,14S,17R)-7-Chloro-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 243.9±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 827.59
ACD/KOC (pH 5.5): 4267.51
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 827.59
ACD/KOC (pH 7.4): 4267.50
Polar Surface Area: 37 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 285.3±5.0 cm3

Click to predict properties on the Chemicalize site


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