ChemSpider 2D Image | (3beta,22E,24xi)-3-Hydroxyergosta-5,8,22-trien-7-one | C28H42O2

(3β,22E,24ξ)-3-Hydroxyergosta-5,8,22-trien-7-one

  • Molecular FormulaC28H42O2
  • Average mass410.632 Da
  • Monoisotopic mass410.318481 Da
  • ChemSpider ID23339093
  • 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

(3β,22E,24ξ)-3-Hydroxyergosta-5,8,22-trien-7-on [German] [ACD/IUPAC Name]
(3β,22E,24ξ)-3-Hydroxyergosta-5,8,22-trien-7-one [ACD/IUPAC Name]
(3β,22E,24ξ)-3-Hydroxyergosta-5,8,22-trién-7-one [French] [ACD/IUPAC Name]
Ergosta-5,8,22-trien-7-one, 3-hydroxy-, (3β,22E,24ξ)- [ACD/Index Name]
(22E)-3β-hydroxy-24ε-methyl-27-norcholesta-5,8,22-trien-7-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.2±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.3±6.0 kJ/mol
Flash Point: 225.7±22.4 °C
Index of Refraction: 1.549
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 98366.98
ACD/KOC (pH 5.5): 130455.05
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 98366.98
ACD/KOC (pH 7.4): 130455.05
Polar Surface Area: 37 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 390.1±5.0 cm3

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