ChemSpider 2D Image | 16beta-Hydroxyestrone | C18H22O3

16β-Hydroxyestrone

  • Molecular FormulaC18H22O3
  • Average mass286.366 Da
  • Monoisotopic mass286.156891 Da
  • ChemSpider ID17215934
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(16β)-3,16-Dihydroxyestra-1,3,5(10)-trien-17-on [German] [ACD/IUPAC Name]
(16β)-3,16-Dihydroxyestra-1,3,5(10)-trien-17-one [ACD/IUPAC Name]
(16β)-3,16-Dihydroxyestra-1,3,5(10)-trién-17-one [French] [ACD/IUPAC Name]
16β-Hydroxyestrone
3,16b-dihydroxy-Estra-1,3,5(10)-trien-17-one
Estra-1,3,5(10)-trien-17-one, 3,16-dihydroxy-, (16β)- [ACD/Index Name]
16-hydroxyestrone
16α-Hydroxyestrone
3,16-dihydroxy-Estra-1,3,5(10)-trien-17-one
(1S,10R,11S,13S,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 493.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 266.2±25.2 °C
Index of Refraction: 1.612
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.04
ACD/KOC (pH 5.5): 556.31
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 47.97
ACD/KOC (pH 7.4): 555.51
Polar Surface Area: 58 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 229.1±3.0 cm3

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