ChemSpider 2D Image | (6Z)-8,9,10-Trihydroxy-6-octadecenoic acid | C18H34O5

(6Z)-8,9,10-Trihydroxy-6-octadecenoic acid

  • Molecular FormulaC18H34O5
  • Average mass330.460 Da
  • Monoisotopic mass330.240631 Da
  • ChemSpider ID24626308

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(6Z)-8,9,10-Trihydroxy-6-octadecenoic acid [ACD/IUPAC Name]
(6Z)-8,9,10-Trihydroxy-6-octadecensäure [German] [ACD/IUPAC Name]
(6Z,8R,9R,10S)-8,9,10-trihydroxyoctadec-6-enoic acid
6-Octadecenoic acid, 8,9,10-trihydroxy-, (6Z)- [ACD/Index Name]
Acide (6Z)-8,9,10-trihydroxy-6-octadécénoïque [French] [ACD/IUPAC Name]
8R,9R,10S-trihydroxy-6Z-octadecenoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 533.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.0±6.0 kJ/mol
Flash Point: 290.3±26.6 °C
Index of Refraction: 1.507
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 14.51
ACD/KOC (pH 5.5): 136.59
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 98 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 307.5±3.0 cm3

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