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Search term: 59653420 (Found by CSID)
ChemSpider 2D Image | 1-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)-2-propanyl icosanoate | C57H106O6

1-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)-2-propanyl icosanoate

  • Molecular FormulaC57H106O6
  • Average mass887.448 Da
  • Monoisotopic mass886.798950 Da
  • ChemSpider ID59653420

  • 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

1-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)-2-propanyl icosanoate [ACD/IUPAC Name]
1-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)-2-propanyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
Icosanoate de 1-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl icosanoate
1-Hexadecanoyl-2-eicosanoyl-3-(9Z,12Z-octadecadienoyl)-glycerol
1-Palmitoyl-2-arachidonyl-3-linoleoyl-glycerol
TAG(16:0/20:0/18:2)
TAG(54:2)
TG(16:0/20:0/18:2(9Z,12Z))
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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: 819.0±45.0 °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: 302.4±28.8 °C
Index of Refraction: 1.473
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 2
ACD/LogP: 24.23
ACD/LogD (pH 5.5): 22.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 967.5±3.0 cm3

Click to predict properties on the Chemicalize site


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