ChemSpider 2D Image | (14beta)-17-Methylestra-1(10),2,4-triene-3,17-diol | C19H26O2

(14β)-17-Methylestra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC19H26O2
  • Average mass286.409 Da
  • Monoisotopic mass286.193268 Da
  • ChemSpider ID107443113

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(14β)-17-Methylestra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
(14β)-17-Methylestra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(14β)-17-Méthylestra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 17-methyl-, (14β)- [ACD/Index Name]
302-76-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 444.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 205.7±23.3 °C
Index of Refraction: 1.585
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 744.31
ACD/KOC (pH 5.5): 3955.48
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 743.34
ACD/KOC (pH 7.4): 3950.34
Polar Surface Area: 40 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 251.1±3.0 cm3

Click to predict properties on the Chemicalize site


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