ChemSpider 2D Image | (5S,6E,8Z)-5,18-Dihydroxy-6,8-octadecadienoic Acid | C18H32O4

(5S,6E,8Z)-5,18-Dihydroxy-6,8-octadecadienoic Acid

  • Molecular FormulaC18H32O4
  • Average mass312.444 Da
  • Monoisotopic mass312.230072 Da
  • ChemSpider ID31046160

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S,6E,8Z)-5,18-Dihydroxy-6,8-octadecadienoic Acid [ACD/IUPAC Name]
(5S,6E,8Z)-5,18-Dihydroxy-6,8-octadecadiensäure [German] [ACD/IUPAC Name]
6,8-Octadecadienoic acid, 5,18-dihydroxy-, (5S,6E,8Z)- [ACD/Index Name]
Acide (5S,6E,8Z)-5,18-dihydroxy-6,8-octadécadiénoïque [French] [ACD/IUPAC Name]
(5S,6E,8Z)-5,18-dihydroxyoctadeca-6,8-dienoic acid
(S,6E,8Z)-5,18-dihydroxyoctadeca-6,8-dienoic acid
1021188-24-8 [RN]
599179-03-0 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 493.2±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 87.6±6.0 kJ/mol
    Flash Point: 266.1±21.1 °C
    Index of Refraction: 1.507
    Molar Refractivity: 90.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 0
    ACD/LogP: 3.69
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 23.40
    ACD/KOC (pH 5.5): 184.55
    ACD/LogD (pH 7.4): 0.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.91
    Polar Surface Area: 78 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 42.9±3.0 dyne/cm
    Molar Volume: 302.9±3.0 cm3

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