ChemSpider 2D Image | (10alpha,13xi,14xi,17xi,22E)-Ergosta-5,7,22-trien-3-ol | C28H44O

(10α,13ξ,14ξ,17ξ,22E)-Ergosta-5,7,22-trien-3-ol

  • Molecular FormulaC28H44O
  • Average mass396.648 Da
  • Monoisotopic mass396.339203 Da
  • ChemSpider ID22889659
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 8 defined stereocentres


More details:






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

(10α,13ξ,14ξ,17ξ,22E)-Ergosta-5,7,22-trien-3-ol [ACD/IUPAC Name]
(10α,13ξ,14ξ,17ξ,22E)-Ergosta-5,7,22-trien-3-ol [German] [ACD/IUPAC Name]
(10α,13ξ,14ξ,17ξ,22E)-Ergosta-5,7,22-trién-3-ol [French] [ACD/IUPAC Name]
Ergosta-5,7,22-trien-3-ol, (10α,13ξ,14ξ,17ξ,22E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 501.5±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.7±6.0 kJ/mol
Flash Point: 216.3±19.3 °C
Index of Refraction: 1.543
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 7.99
ACD/BCF (pH 5.5): 701096.06
ACD/KOC (pH 5.5): 532080.63
ACD/LogD (pH 7.4): 7.99
ACD/BCF (pH 7.4): 701096.06
ACD/KOC (pH 7.4): 532080.63
Polar Surface Area: 20 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 394.1±5.0 cm3

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