ChemSpider 2D Image | 11-[(11beta,17beta)-3,17-Dihydroxyestra-1,3,5(10)-trien-11-yl]-N-isopropyl-N-methylundecanamide | C33H53NO3

11-[(11β,17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-11-yl]-N-isopropyl-N-methylundecanamide

  • Molecular FormulaC33H53NO3
  • Average mass511.779 Da
  • Monoisotopic mass511.402557 Da
  • ChemSpider ID8111814

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

11-[(11β,17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-11-yl]-N-isopropyl-N-methylundecanamid [German] [ACD/IUPAC Name]
11-[(11β,17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-11-yl]-N-isopropyl-N-methylundecanamide [ACD/IUPAC Name]
11-[(11β,17β)-3,17-Dihydroxyestra-1,3,5(10)-trién-11-yl]-N-isopropyl-N-méthylundécanamide [French] [ACD/IUPAC Name]
Undecanamide, 11-[(11β,17β)-3,17-dihydroxyestra-1,3,5(10)-trien-11-yl]-N-methyl-N-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 650.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.1±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.25
ACD/LogD (pH 5.5): 7.39
ACD/BCF (pH 5.5): 242077.83
ACD/KOC (pH 5.5): 248546.52
ACD/LogD (pH 7.4): 7.39
ACD/BCF (pH 7.4): 241763.86
ACD/KOC (pH 7.4): 248224.16
Polar Surface Area: 61 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 489.5±3.0 cm3

Click to predict properties on the Chemicalize site


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