ChemSpider 2D Image | TG(18:2(9Z,12Z)/20:0/20:0)[iso3] | C61H114O6

TG(18:2(9Z,12Z)/20:0/20:0)[iso3]

  • Molecular FormulaC61H114O6
  • Average mass943.554 Da
  • Monoisotopic mass942.861511 Da
  • ChemSpider ID7823628

  • 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(18:2(9Z,12Z)/20:0/20:0)[iso3]
3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-1,2-propandiyl-diicosanoat [German] [ACD/IUPAC Name]
3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-1,2-propanediyl diicosanoate [ACD/IUPAC Name]
Diicosanoate de 3-[(9Z,12Z)-9,12-octadecadienoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
Eicosanoic acid, 1-[[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
(2S)-1-(icosanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl icosanoate
1-(9Z,12Z-octadecadienoyl)-2,3-dieicosanoyl-sn-glycerol
1-Arachidonyl-2-arachidonyl-3-linoleoyl-glycerol
1-Eicosanoyl-2-eicosanoyl-3-(9Z,12Z-octadecadienoyl)-glycerol
1-Linoleoyl-2-arachidonyl-3-arachidonyl-glycerol
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010717 [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: 852.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 310.3±28.8 °C
Index of Refraction: 1.473
Molar Refractivity: 290.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 58
#Rule of 5 Violations: 2
ACD/LogP: 26.36
ACD/LogD (pH 5.5): 24.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 24.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.0±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 1033.5±3.0 cm3

Click to predict properties on the Chemicalize site


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