ChemSpider 2D Image | (8alpha,9beta,14beta,17beta)-17-Hydroxyestra-1(10),4-diene-2,3-dione | C18H22O3

(8α,9β,14β,17β)-17-Hydroxyestra-1(10),4-diene-2,3-dione

  • Molecular FormulaC18H22O3
  • Average mass286.366 Da
  • Monoisotopic mass286.156891 Da
  • ChemSpider ID30778528

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(8α,9β,14β,17β)-17-Hydroxyestra-1(10),4-dien-2,3-dion [German] [ACD/IUPAC Name]
(8α,9β,14β,17β)-17-Hydroxyestra-1(10),4-diene-2,3-dione [ACD/IUPAC Name]
(8α,9β,14β,17β)-17-Hydroxyestra-1(10),4-diène-2,3-dione [French] [ACD/IUPAC Name]
Estra-1(10),4-diene-2,3-dione, 17-hydroxy-, (8α,9β,14β,17β)- [ACD/Index Name]
(1R,10S,11R,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,6-diene-4,5-dione
17β-Estradiol-2,3-quinone

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 483.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.3±6.0 kJ/mol
Flash Point: 260.3±25.2 °C
Index of Refraction: 1.595
Molar Refractivity: 78.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.86
ACD/KOC (pH 5.5): 262.87
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.86
ACD/KOC (pH 7.4): 262.87
Polar Surface Area: 54 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 230.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement