ChemSpider 2D Image | Etamestrol | C35H34O5

Etamestrol

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID181030

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

((7a,17b)-17-Ethynyl-17-hydroxy-7-methylestra-1,3,5(10)-triene-1,3-diyl) Dibenzoate
(17α)-17-Hydroxy-7-methyl-19-norpregna-1,3,5(10)-trien-20-in-1,3-diyl-dibenzoat [German] [ACD/IUPAC Name]
(17α)-17-Hydroxy-7-methyl-19-norpregna-1,3,5(10)-trien-20-yne-1,3-diyl dibenzoate [ACD/IUPAC Name]
(7a,17b)-17-ethynyl-7-methylestra-1,3,5(10)-triene-1,3,17-triol 1,3-Dibenzoate
(7α,17α)-17-Hydroxy-7-methyl-19-norpregna-1,3,5(10)-trien-20-in-1,3-diyl-dibenzoat [German] [ACD/IUPAC Name]
(7α,17α)-17-Hydroxy-7-methyl-19-norpregna-1,3,5(10)-trien-20-yne-1,3-diyl dibenzoate [ACD/IUPAC Name]
73764-72-4 [RN]
7a-Methyl-19-nor-17a-pregna-1,3,5(10)-trien-20-yne-1,3,17-triol 1,3-Dibenzoate
Dibenzoate de (17α)-17-hydroxy-7-méthyl-19-norprégna-1,3,5(10)-trién-20-yne-1,3-diyle [French] [ACD/IUPAC Name]
Dibenzoate de (7α,17α)-17-hydroxy-7-méthyl-19-norprégna-1,3,5(10)-trién-20-yne-1,3-diyle [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 682.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 217.3±25.0 °C
Index of Refraction: 1.645
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.49
ACD/LogD (pH 5.5): 7.13
ACD/BCF (pH 5.5): 154572.16
ACD/KOC (pH 5.5): 180283.97
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 154571.81
ACD/KOC (pH 7.4): 180283.58
Polar Surface Area: 73 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 418.5±5.0 cm3

Click to predict properties on the Chemicalize site


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