ChemSpider 2D Image | TG(16:0/18:2(9Z,12Z)/20:0)[iso6] | C57H106O6

TG(16:0/18:2(9Z,12Z)/20:0)[iso6]

  • Molecular FormulaC57H106O6
  • Average mass887.448 Da
  • Monoisotopic mass886.798950 Da
  • ChemSpider ID7823145

  • 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

TG(16:0/18:2(9Z,12Z)/20:0)[iso6]
2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)propyl icosanoate [ACD/IUPAC Name]
2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 3-[(1-oxohexadecyl)oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester [ACD/Index Name]
Icosanoate de 2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoate
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-3-eicosanoyl-sn-glycerol
1-Palmitoyl-2-linoleoyl-3-arachidonyl-glycerol
TAG(16:0/18:2/20:0)
TAG(16:0/18:2n6/20:0)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010230 [DBID]

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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