ChemSpider 2D Image | (15beta,17beta)-Estra-1,3,5(10)-triene-3,15,17-triol | C18H24O3

(15β,17β)-Estra-1,3,5(10)-triene-3,15,17-triol

  • Molecular FormulaC18H24O3
  • Average mass288.381 Da
  • Monoisotopic mass288.172546 Da
  • ChemSpider ID29367563

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(15β,17β)-Estra-1,3,5(10)-trien-3,15,17-triol [German] [ACD/IUPAC Name]
(15β,17β)-Estra-1,3,5(10)-triene-3,15,17-triol [ACD/IUPAC Name]
(15β,17β)-Estra-1,3,5(10)-triène-3,15,17-triol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,15,17-triol, (15β,17β)- [ACD/Index Name]
(8R,9S,13S,14S,15R,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,17-triol
(8R,9S,13S,14S,15R,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,15,17-triol
15-β-HYDROXY-17β-ESTRADIOL
15β-hyfroxy-17β-estradiol
7445-96-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 493.1±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: 233.7±23.3 °C
Index of Refraction: 1.624
Molar Refractivity: 81.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.08
ACD/KOC (pH 5.5): 676.08
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.00
ACD/KOC (pH 7.4): 675.16
Polar Surface Area: 61 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 229.6±3.0 cm3

Click to predict properties on the Chemicalize site


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