ChemSpider 2D Image | 1,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C57H96O6

1,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC57H96O6
  • Average mass877.369 Da
  • Monoisotopic mass876.720703 Da
  • ChemSpider ID59693769

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de 1,3-bis[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
1,3-Bis[(9Z,12Z)-9,12-octadecadienoyloxy]-2-propanyl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, 2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-1-[[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
[3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
1-(9Z,12Z-Octadecadienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(9Z,12Z-octadecadienoyl)-glycerol
1,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
174473-88-2 [RN]
1-Linoleoyl-2-g-linolenoyl-3-linoleoyl-glycerol
2-??-Linolenoyl-1,3-dilinoleoyl-sn-glycerol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 815.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 118.6±3.0 kJ/mol
    Flash Point: 303.2±34.3 °C
    Index of Refraction: 1.493
    Molar Refractivity: 271.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 49
    #Rule of 5 Violations: 2
    ACD/LogP: 21.55
    ACD/LogD (pH 5.5): 18.76
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 18.76
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 79 Å2
    Polarizability: 107.8±0.5 10-24cm3
    Surface Tension: 35.4±3.0 dyne/cm
    Molar Volume: 935.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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