ChemSpider 2D Image | (8xi,9xi,14xi)-estra-1(10),2,4-triene-3,17-diol | C18H24O2

(8ξ,9ξ,14ξ)-estra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC18H24O2
  • Average mass272.382 Da
  • Monoisotopic mass272.177643 Da
  • ChemSpider ID21858998

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ)-estra-1(10),2,4-triene-3,17-diol
(8ξ,9ξ,14ξ,17β)-Estra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17β)-Estra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17β)-Estra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
estra-1(10),2,4-triene-3,17-diol, (8ξ,9ξ,14ξ)-
Estra-1,3,5(10)-triene-3,17-diol, (8ξ,9ξ,14ξ,17β)- [ACD/Index Name]
13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
MFCD01457231 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 209.6±23.3 °C
Index of Refraction: 1.599
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 329.70
ACD/KOC (pH 5.5): 2208.39
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 329.27
ACD/KOC (pH 7.4): 2205.52
Polar Surface Area: 40 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 232.6±3.0 cm3

Click to predict properties on the Chemicalize site


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