ChemSpider 2D Image | (22E,24xi)-Ergosta-4,7,22-triene-3,6-dione | C28H40O2

(22E,24ξ)-Ergosta-4,7,22-triene-3,6-dione

  • Molecular FormulaC28H40O2
  • Average mass408.616 Da
  • Monoisotopic mass408.302826 Da
  • ChemSpider ID29212478
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(22E,24ξ)-Ergosta-4,7,22-trien-3,6-dion [German] [ACD/IUPAC Name]
(22E,24ξ)-Ergosta-4,7,22-triene-3,6-dione [ACD/IUPAC Name]
(22E,24ξ)-Ergosta-4,7,22-triène-3,6-dione [French] [ACD/IUPAC Name]
Ergosta-4,7,22-triene-3,6-dione, (22E,24ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 527.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 194.2±27.1 °C
Index of Refraction: 1.543
Molar Refractivity: 122.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 109009.69
ACD/KOC (pH 5.5): 140409.38
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 109009.69
ACD/KOC (pH 7.4): 140409.38
Polar Surface Area: 34 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 389.8±5.0 cm3

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