ChemSpider 2D Image | Estradiol 17-O-octadecanoate | C36H58O3

Estradiol 17-O-octadecanoate

  • Molecular FormulaC36H58O3
  • Average mass538.844 Da
  • Monoisotopic mass538.438599 Da
  • ChemSpider ID60448

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl stearate [ACD/IUPAC Name]
(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-ylstearat [German] [ACD/IUPAC Name]
82205-00-3 [RN]
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-octadecanoate
Estradiol 17-O-octadecanoate
Octadecanoic acid, (17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl ester [ACD/Index Name]
Stéarate de (17β)-3-hydroxyestra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
(17b)-Estra-1,3,5(10)-triene-3,17-diol 17-octadecanoate
210241-63-7 [RN]
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-octadecanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 629.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 227.2±24.3 °C
Index of Refraction: 1.535
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 13.53
ACD/LogD (pH 5.5): 12.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 523.4±5.0 cm3

Click to predict properties on the Chemicalize site


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