ChemSpider 2D Image | (9R,10R,12Z)-9,10-Dihydroxy-12-octadecenoic acid | C18H34O4

(9R,10R,12Z)-9,10-Dihydroxy-12-octadecenoic acid

  • Molecular FormulaC18H34O4
  • Average mass314.460 Da
  • Monoisotopic mass314.245697 Da
  • ChemSpider ID26324121

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9R,10R,12Z)-9,10-Dihydroxy-12-octadecenoic acid [ACD/IUPAC Name]
(9R,10R,12Z)-9,10-Dihydroxy-12-octadecensäure [German] [ACD/IUPAC Name]
12-Octadecenoic acid, 9,10-dihydroxy-, (9R,10R,12Z)- [ACD/Index Name]
263399-34-4 [RN]
Acide (9R,10R,12Z)-9,10-dihydroxy-12-octadécénoïque [French] [ACD/IUPAC Name]
(±)9,10-dihome
(±)-THREO-9,10-DIHYDROXY-12(Z)-OCTADECENOIC ACID
[263399-34-4] [RN]
MFCD03412017

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 491.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 87.4±6.0 kJ/mol
    Flash Point: 265.3±22.4 °C
    Index of Refraction: 1.493
    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: 4.14
    ACD/LogD (pH 5.5): 2.98
    ACD/BCF (pH 5.5): 70.21
    ACD/KOC (pH 5.5): 432.86
    ACD/LogD (pH 7.4): 1.19
    ACD/BCF (pH 7.4): 1.13
    ACD/KOC (pH 7.4): 6.94
    Polar Surface Area: 78 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 41.4±3.0 dyne/cm
    Molar Volume: 309.7±3.0 cm3

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