ChemSpider 2D Image | Bis[(8xi,9xi,14xi,17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl] carbonate | C37H46O5

Bis[(8ξ,9ξ,14ξ,17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl] carbonate

  • Molecular FormulaC37H46O5
  • Average mass570.758 Da
  • Monoisotopic mass570.334534 Da
  • ChemSpider ID9928120

  • defined stereocentres - 4 of 10 defined stereocentres

More details:

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

Bis[(8ξ,9ξ,14ξ,17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl] carbonate [ACD/IUPAC Name]
Bis[(8ξ,9ξ,14ξ,17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]carbonat [German] [ACD/IUPAC Name]
Carbonate de bis[(8ξ,9ξ,14ξ,17β)-17-hydroxyestra-1,3,5(10)-trién-3-yle] [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 218.0±25.0 °C
Index of Refraction: 1.608
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.58
ACD/LogD (pH 5.5): 7.13
ACD/BCF (pH 5.5): 153185.23
ACD/KOC (pH 5.5): 179124.59
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 153185.23
ACD/KOC (pH 7.4): 179124.59
Polar Surface Area: 76 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 468.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement