ChemSpider 2D Image | (10alpha,13xi,14xi,17xi,22E)-Ergosta-5,7,22-trien-3-yl acetate | C30H46O2

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

  • Molecular FormulaC30H46O2
  • Average mass438.685 Da
  • Monoisotopic mass438.349792 Da
  • ChemSpider ID22889323

  • 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-yl acetate [ACD/IUPAC Name]
(10α,13ξ,14ξ,17ξ,22E)-Ergosta-5,7,22-trien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (10α,13ξ,14ξ,17ξ,22E)-ergosta-5,7,22-trién-3-yle [French] [ACD/IUPAC Name]
Ergosta-5,7,22-trien-3-ol, acetate, (10α,13ξ,14ξ,17ξ,22E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 513.0±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 261.1±17.4 °C
Index of Refraction: 1.532
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 10.15
ACD/LogD (pH 5.5): 9.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2071557.75
ACD/LogD (pH 7.4): 9.08
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2071557.75
Polar Surface Area: 26 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 431.9±5.0 cm3

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