ChemSpider 2D Image | (9xi,10alpha,13xi,14xi,17xi,22E)-3,5-Dihydroxyergosta-7,22-dien-6-one | C28H44O3

(9ξ,10α,13ξ,14ξ,17ξ,22E)-3,5-Dihydroxyergosta-7,22-dien-6-one

  • Molecular FormulaC28H44O3
  • Average mass428.647 Da
  • Monoisotopic mass428.329041 Da
  • ChemSpider ID23932824

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 9 defined stereocentres

More details:

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

(9ξ,10α,13ξ,14ξ,17ξ,22E)-3,5-Dihydroxyergosta-7,22-dien-6-on [German] [ACD/IUPAC Name]
(9ξ,10α,13ξ,14ξ,17ξ,22E)-3,5-Dihydroxyergosta-7,22-dien-6-one [ACD/IUPAC Name]
(9ξ,10α,13ξ,14ξ,17ξ,22E)-3,5-Dihydroxyergosta-7,22-dién-6-one [French] [ACD/IUPAC Name]
Ergosta-7,22-dien-6-one, 3,5-dihydroxy-, (9ξ,10α,13ξ,14ξ,17ξ,22E)- [ACD/Index Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 550.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 95.5±0.0 kJ/mol
Flash Point: 300.8±0.0 °C
Index of Refraction: 1.551
Molar Refractivity: 126.2±0.0 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 52413.69
ACD/KOC (pH 5.5): 83130.56
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 52413.12
ACD/KOC (pH 7.4): 83129.65
Polar Surface Area: 58 Å2
Polarizability: 50.0±0.0 10-24cm3
Surface Tension: 44.1±0.0 dyne/cm
Molar Volume: 395.4±0.0 cm3

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