ChemSpider 2D Image | (9S,10R,11E,13S)-9,10,13-Trihydroxy-11-octadecenoic acid | C18H34O5

(9S,10R,11E,13S)-9,10,13-Trihydroxy-11-octadecenoic acid

  • Molecular FormulaC18H34O5
  • Average mass330.460 Da
  • Monoisotopic mass330.240631 Da
  • ChemSpider ID30776564
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(9S,10R,11E,13S)-9,10,13-Trihydroxy-11-octadecenoic acid [ACD/IUPAC Name]
(9S,10R,11E,13S)-9,10,13-Trihydroxy-11-octadecensäure [German] [ACD/IUPAC Name]
11-Octadecenoic acid, 9,10,13-trihydroxy-, (9S,10R,11E,13S)- [ACD/Index Name]
Acide (9S,10R,11E,13S)-9,10,13-trihydroxy-11-octadécénoïque [French] [ACD/IUPAC Name]
(11E)-9,10,13-Trihydroxyoctadec-11-enoate
(11E)-9,10,13-Trihydroxyoctadec-11-enoic acid
(9S,10R,11E,13S)-9,10,13-trihydroxyoctadec-11-enoic acid
(E)-9,10,13-Trihydroxy-11-octadecenoate
(E)-9,10,13-Trihydroxy-11-octadecenoic acid
29907-57-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 543.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 296.5±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: 2.60
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 9.42
ACD/KOC (pH 5.5): 102.75
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
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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