ChemSpider 2D Image | (8alpha,9beta,13alpha,14beta,16beta,17alpha)-Estra-1(10),2,4-triene-2,3,16,17-tetrol | C18H24O4

(8α,9β,13α,14β,16β,17α)-Estra-1(10),2,4-triene-2,3,16,17-tetrol

  • Molecular FormulaC18H24O4
  • Average mass304.381 Da
  • Monoisotopic mass304.167450 Da
  • ChemSpider ID78076605

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,9β,13α,14β,16β,17α)-Estra-1(10),2,4-trien-2,3,16,17-tetrol [German] [ACD/IUPAC Name]
(8α,9β,13α,14β,16β,17α)-Estra-1(10),2,4-triene-2,3,16,17-tetrol [ACD/IUPAC Name]
(8α,9β,13α,14β,16β,17α)-Estra-1(10),2,4-triène-2,3,16,17-tétrol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-2,3,16,17-tetrol, (8α,9β,13α,14β,16β,17α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 504.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 238.4±24.7 °C
Index of Refraction: 1.648
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.67
ACD/KOC (pH 5.5): 335.14
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.58
ACD/KOC (pH 7.4): 333.90
Polar Surface Area: 81 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 228.1±3.0 cm3

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