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Search term: 59654903 (Found by CSID)
ChemSpider 2D Image | 3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-2-(palmitoyloxy)propyl icosanoate | C57H104O6

3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-2-(palmitoyloxy)propyl icosanoate

  • Molecular FormulaC57H104O6
  • Average mass885.432 Da
  • Monoisotopic mass884.783264 Da
  • ChemSpider ID59654903

  • 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

3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-2-(palmitoyloxy)propyl icosanoate [ACD/IUPAC Name]
3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-2-(palmitoyloxy)propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 2-[(1-oxohexadecyl)oxy]-3-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester [ACD/Index Name]
Icosanoate de 3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2S)-2-(hexadecanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl icosanoate
1-Arachidonyl-2-palmitoyl-3-a-linolenoyl-glycerol
1-Eicosanoyl-2-hexadecanoyl-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol
TAG(20:0/16:0/18:3)
TAG(54:3)
TG(20:0/16:0/18:3(9Z,12Z,15Z))
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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: 818.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 302.7±31.5 °C
Index of Refraction: 1.477
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.55
ACD/LogD (pH 5.5): 21.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.61
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: 34.7±3.0 dyne/cm
Molar Volume: 961.1±3.0 cm3

Click to predict properties on the Chemicalize site


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