ChemSpider 2D Image | (17beta)-17-Hydroxyestra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)(~11~C)carbamate | C2211CH31Cl2NO3

(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)(11C)carbamate

  • Molecular FormulaC2211CH31Cl2NO3
  • Average mass439.404 Da
  • Monoisotopic mass438.179535 Da
  • ChemSpider ID396639

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)(11C)carbamate [ACD/IUPAC Name]
(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl-bis(2-chlorethyl)(11C)carbamat [German] [ACD/IUPAC Name]
Bis(2-chloroéthyl)(11C)carbamate de (17β)-17-hydroxyestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
Carbamic-11C acid, N,N-bis(2-chloroethyl)-, (17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl ester [ACD/Index Name]

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

MOLI000740 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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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