ChemSpider 2D Image | 5,6-Epoxyergosterol | C28H44O2

5,6-Epoxyergosterol

  • Molecular FormulaC28H44O2
  • Average mass412.648 Da
  • Monoisotopic mass412.334137 Da
  • ChemSpider ID78442540

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,6α,22E)-5,6-Epoxyergosta-7,22-dien-3-ol [German] [ACD/IUPAC Name]
(3β,5α,6α,22E)-5,6-Epoxyergosta-7,22-dien-3-ol [ACD/IUPAC Name]
(3β,5α,6α,22E)-5,6-Époxyergosta-7,22-dién-3-ol [French] [ACD/IUPAC Name]
23637-31-2 [RN]
5,6-Epoxyergosterol
Ergosta-7,22-dien-3-ol, 5,6-epoxy-, (3β,5α,6α,22E)- [ACD/Index Name]
(1S,2R,5S,7R,9S,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-10-en-5-ol
5α,6α-epoxy-24(R)-methylcholesta-7,22-dien-3β-ol
5α,9α-epoxy-ergosta-7,22E-dien-3β-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 513.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.4±6.0 kJ/mol
Flash Point: 210.6±24.4 °C
Index of Refraction: 1.551
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.74
ACD/LogD (pH 5.5): 6.94
ACD/BCF (pH 5.5): 111153.40
ACD/KOC (pH 5.5): 142380.33
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 111153.40
ACD/KOC (pH 7.4): 142380.33
Polar Surface Area: 33 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 389.1±5.0 cm3

Click to predict properties on the Chemicalize site


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