ChemSpider 2D Image | (3beta,9xi,14xi,22E)-Ergosta-5,7,22,24(28)-tetraen-3-ol | C28H42O

(3β,9ξ,14ξ,22E)-Ergosta-5,7,22,24(28)-tetraen-3-ol

  • Molecular FormulaC28H42O
  • Average mass394.633 Da
  • Monoisotopic mass394.323578 Da
  • ChemSpider ID24850092

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3β,9ξ,14ξ,22E)-Ergosta-5,7,22,24(28)-tetraen-3-ol [ACD/IUPAC Name]
(3β,9ξ,14ξ,22E)-Ergosta-5,7,22,24(28)-tetraen-3-ol [German] [ACD/IUPAC Name]
(3β,9ξ,14ξ,22E)-Ergosta-5,7,22,24(28)-tétraén-3-ol [French] [ACD/IUPAC Name]
Ergosta-5,7,22,24(28)-tetraen-3-ol, (3β,9ξ,14ξ,22E)- [ACD/Index Name]
24-methylene-cholesta-5,7,22E-trien-3β-ol
Ergosta-5,7,22E,24(28)-tetraenol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 510.5±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 218.1±19.3 °C
Index of Refraction: 1.550
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 595275.88
ACD/KOC (pH 5.5): 473275.66
ACD/LogD (pH 7.4): 7.90
ACD/BCF (pH 7.4): 595275.88
ACD/KOC (pH 7.4): 473275.66
Polar Surface Area: 20 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 388.6±5.0 cm3

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