ChemSpider 2D Image | (10E,15Z)-9,12,13-Trihydroxy-10,15-octadecadienoic acid | C18H32O5

(10E,15Z)-9,12,13-Trihydroxy-10,15-octadecadienoic acid

  • Molecular FormulaC18H32O5
  • Average mass328.444 Da
  • Monoisotopic mass328.224976 Da
  • ChemSpider ID22912859

  • Double-bond stereo - Double-bond stereo

More details:

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

(10E,15Z)-9,12,13-Trihydroxy-10,15-octadecadienoic acid [ACD/IUPAC Name]
(10E,15Z)-9,12,13-Trihydroxy-10,15-octadecadiensäure [German] [ACD/IUPAC Name]
10,15-Octadecadienoic acid, 9,12,13-trihydroxy-, (10E,15Z)- [ACD/Index Name]
Acide (10E,15Z)-9,12,13-trihydroxy-10,15-octadécadiénoïque [French] [ACD/IUPAC Name]
(10E,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid
185147-97-1 [RN]
51146-90-8 [RN]
9,12,13-trihydroxy-10(E),15(Z)-octadecadienoic acid
9,12,13-trihydroxyoctadeca-10(E),15(Z)-dienoic acid
95341-44-9 [RN]
More...

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

  • Miscellaneous

    • Chemical Class:

      A octadecanoid that is (10E,15Z)-octadecadienoic acid carrying three hydroxy substituents at positions 9, 12 and 13. ChEBI CHEBI:91218

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

Density: 1.1±0.1 g/cm3
Boiling Point: 544.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 297.4±26.6 °C
Index of Refraction: 1.520
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 5.76
ACD/KOC (pH 5.5): 72.29
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 98 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 301.2±3.0 cm3

Click to predict properties on the Chemicalize site


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