ChemSpider 2D Image | 3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C59H102O6

3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC59H102O6
  • Average mass907.438 Da
  • Monoisotopic mass906.767639 Da
  • ChemSpider ID59661340

  • 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

(8Z,11Z,14Z)-8,11,14-Icosatriénoate de 3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2S)-2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-(9Z,12Z-Octadecadienoyl)-2-(9Z-octadecenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol
1-Linoleoyl-2-oleoyl-3-homo-g-linolenoyl-glycerol
1-Linoleoyl-2-oleoyl-3-homo-γ-linolenoyl-glycerol
TAG(18:2/18:1/20:3)
TAG(18:2/18:1/20:3n6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 833.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 307.1±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 281.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.06
ACD/LogD (pH 5.5): 20.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.4±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 974.9±3.0 cm3

Click to predict properties on the Chemicalize site


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