ChemSpider 2D Image | (17beta)-17-(4-Methyl-2-thienyl)estra-1(10),2,4-triene-3,17-diol | C23H28O2S

(17β)-17-(4-Methyl-2-thienyl)estra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC23H28O2S
  • Average mass368.532 Da
  • Monoisotopic mass368.181000 Da
  • ChemSpider ID26620248

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-17-(4-Methyl-2-thienyl)estra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
(17β)-17-(4-Methyl-2-thienyl)estra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(17β)-17-(4-Méthyl-2-thiényl)estra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 17-(4-methyl-2-thienyl)-, (17β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 285.2±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 107.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9592.77
ACD/KOC (pH 5.5): 24652.61
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9579.71
ACD/KOC (pH 7.4): 24619.07
Polar Surface Area: 69 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 301.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement