ChemSpider 2D Image | (9xi,10xi,13xi,14xi,17xi,22E)-Ergosta-7,22-dien-3-one | C28H44O

(9ξ,10ξ,13ξ,14ξ,17ξ,22E)-Ergosta-7,22-dien-3-one

  • Molecular FormulaC28H44O
  • Average mass396.648 Da
  • Monoisotopic mass396.339203 Da
  • ChemSpider ID22889732

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 8 defined stereocentres

More details:

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

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 485.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 203.3±23.4 °C
Index of Refraction: 1.527
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.17
ACD/LogD (pH 5.5): 8.01
ACD/BCF (pH 5.5): 714266.69
ACD/KOC (pH 5.5): 539216.13
ACD/LogD (pH 7.4): 8.01
ACD/BCF (pH 7.4): 714266.69
ACD/KOC (pH 7.4): 539216.13
Polar Surface Area: 17 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 400.4±5.0 cm3

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