ChemSpider 2D Image | 8,14-Epoxyergosta-4,22-diene-3,6-dione | C28H40O3

8,14-Epoxyergosta-4,22-diene-3,6-dione

  • Molecular FormulaC28H40O3
  • Average mass424.615 Da
  • Monoisotopic mass424.297760 Da
  • ChemSpider ID29361465

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(8ξ,14ξ,22E,24R)-8,14-Epoxyergosta-4,22-dien-3,6-dion [German] [ACD/IUPAC Name]
(8ξ,14ξ,22E,24R)-8,14-Epoxyergosta-4,22-diene-3,6-dione [ACD/IUPAC Name]
(8ξ,14ξ,22E,24R)-8,14-Époxyergosta-4,22-diène-3,6-dione [French] [ACD/IUPAC Name]
1265908-20-0 [RN]
8,14-Epoxyergosta-4,22-diene-3,6-dione [ACD/IUPAC Name]
Ergosta-4,22-diene-3,6-dione, 8,14-epoxy-, (8ξ,14ξ,22E,24R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 538.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 228.8±30.2 °C
Index of Refraction: 1.553
Molar Refractivity: 123.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4569.23
ACD/KOC (pH 5.5): 14498.04
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4569.23
ACD/KOC (pH 7.4): 14498.04
Polar Surface Area: 47 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 384.1±5.0 cm3

Click to predict properties on the Chemicalize site


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