ChemSpider 2D Image | (3beta,5alpha,22E)-Ergosta-7,22-dien-3-yl (9Z,12Z)-9,12-octadecadienoate | C46H76O2

(3β,5α,22E)-Ergosta-7,22-dien-3-yl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC46H76O2
  • Average mass661.094 Da
  • Monoisotopic mass660.584534 Da
  • ChemSpider ID113385220

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α,22E)-Ergosta-7,22-dien-3-yl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(3β,5α,22E)-Ergosta-7,22-dien-3-yl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (3β,5α,22E)-ergosta-7,22-dién-3-yle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (3β,5α,22E)-ergosta-7,22-dien-3-yl ester, (9Z,12Z)- [ACD/Index Name]
5-dihydroergosteryl-linoleate
5α-ergosta-7,22E-dien-3β-yl-(9Z,12Z)-octadecadienoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 683.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 368.0±19.0 °C
Index of Refraction: 1.521
Molar Refractivity: 208.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 18.00
ACD/LogD (pH 5.5): 15.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 682.9±5.0 cm3

Click to predict properties on the Chemicalize site


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