ChemSpider 2D Image | (7alpha,8xi,17alpha)-21-Chloro-7-methyl-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol | C21H25ClO2

(7α,8ξ,17α)-21-Chloro-7-methyl-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol

  • Molecular FormulaC21H25ClO2
  • Average mass344.875 Da
  • Monoisotopic mass344.154297 Da
  • ChemSpider ID26378586

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7α,8ξ,17α)-21-Chlor-7-methyl-19-norpregna-1(10),2,4-trien-20-in-3,17-diol [German] [ACD/IUPAC Name]
(7α,8ξ,17α)-21-Chloro-7-methyl-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol [ACD/IUPAC Name]
(7α,8ξ,17α)-21-Chloro-7-méthyl-19-norprégna-1(10),2,4-trién-20-yne-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 17-(2-chloroethynyl)-7-methyl-, (7β,8ξ,9β,13α,14β,17α)- [ACD/Index 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: 490.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.5±28.7 °C
Index of Refraction: 1.626
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4183.66
ACD/KOC (pH 5.5): 13611.35
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4177.58
ACD/KOC (pH 7.4): 13591.58
Polar Surface Area: 40 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 271.0±5.0 cm3

Click to predict properties on the Chemicalize site


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