ChemSpider 2D Image | (17alpha)-17-Hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate | C23H31Cl2NO3

(17α)-17-Hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate

  • Molecular FormulaC23H31Cl2NO3
  • Average mass440.403 Da
  • Monoisotopic mass439.168091 Da
  • ChemSpider ID110805219

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-17-Hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate [ACD/IUPAC Name]
(17α)-17-Hydroxyestra-1(10),2,4-trien-3-yl-bis(2-chlorethyl)carbamat [German] [ACD/IUPAC Name]
Bis(2-chloroéthyl)carbamate de (17α)-17-hydroxyestra-1(10),2,4-trién-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N,N-bis(2-chloroethyl)-, (17α)-17-hydroxyestra-1(10),2,4-trien-3-yl ester [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: 565.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 296.0±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2955.44
ACD/KOC (pH 5.5): 10613.68
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2955.44
ACD/KOC (pH 7.4): 10613.68
Polar Surface Area: 50 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 351.4±3.0 cm3

Click to predict properties on the Chemicalize site


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