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Search term: 59658201 (Found by CSID)
ChemSpider 2D Image | 3-[(11Z)-11-Octadecenoyloxy]-2-(palmitoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C57H102O6

3-[(11Z)-11-Octadecenoyloxy]-2-(palmitoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC57H102O6
  • Average mass883.416 Da
  • Monoisotopic mass882.767639 Da
  • ChemSpider ID59658201

  • 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-[(11Z)-11-octadecenoyloxy]-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
3-[(11Z)-11-Octadecenoyloxy]-2-(palmitoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
3-[(11Z)-11-Octadecenoyloxy]-2-(palmitoyloxy)propyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 2-[(1-oxohexadecyl)oxy]-3-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2S)-2-(hexadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-(11Z-Octadecenoyl)-2-hexadecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol
1-Vaccenoyl-2-palmitoyl-3-homo-g-linolenoyl-glycerol
TAG(18:1/16:0/20:3)
TAG(18:1/16:0/20:3n6)
TAG(18:1/16:0/20:3w6)
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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: 818.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 302.8±31.5 °C
Index of Refraction: 1.481
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.03
ACD/LogD (pH 5.5): 20.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 954.7±3.0 cm3

Click to predict properties on the Chemicalize site


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