ChemSpider 2D Image | (2E,4E)-2,4,6,8,10,12-Docosahexaenoic acid | C22H32O2

(2E,4E)-2,4,6,8,10,12-Docosahexaenoic acid

  • Molecular FormulaC22H32O2
  • Average mass328.488 Da
  • Monoisotopic mass328.240234 Da
  • ChemSpider ID57578910

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E)-2,4,6,8,10,12-Docosahexaenoic acid [ACD/IUPAC Name]
(2E,4E)-2,4,6,8,10,12-Docosahexaensäure [German] [ACD/IUPAC Name]
2,4,6,8,10,12-Docosahexaenoic acid, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-2,4,6,8,10,12-docosahexaénoïque [French] [ACD/IUPAC Name]
1704702-50-0 [RN]
25167-62-8 [RN]
Docosa-2,4,6,8,10,12-hexaenoic acid
Docosahexaenoic acid [Wiki]
MFCD03839080 [MDL number]

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 503.0±19.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±6.0 kJ/mol
    Flash Point: 383.9±12.4 °C
    Index of Refraction: 1.521
    Molar Refractivity: 105.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 1
    ACD/LogP: 7.78
    ACD/LogD (pH 5.5): 6.11
    ACD/BCF (pH 5.5): 14181.32
    ACD/KOC (pH 5.5): 15814.75
    ACD/LogD (pH 7.4): 4.32
    ACD/BCF (pH 7.4): 225.22
    ACD/KOC (pH 7.4): 251.16
    Polar Surface Area: 37 Å2
    Polarizability: 42.0±0.5 10-24cm3
    Surface Tension: 36.0±3.0 dyne/cm
    Molar Volume: 348.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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