ChemSpider 2D Image | TG(16:1(9Z)/18:2(9Z,12Z)/20:0)[iso6] | C57H104O6

TG(16:1(9Z)/18:2(9Z,12Z)/20:0)[iso6]

  • Molecular FormulaC57H104O6
  • Average mass885.432 Da
  • Monoisotopic mass884.783264 Da
  • ChemSpider ID7823177

  • 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(16:1(9Z)/18:2(9Z,12Z)/20:0)[iso6]
3-[(9Z)-9-Hexadecenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl icosanoate [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester [ACD/Index Name]
Icosanoate de 3-[(9Z)-9-hexadecenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoate
1-(9Z-hexadecenoyl)-2-(9Z,12Z-octadecadienoyl)-3-eicosanoyl-sn-glycerol
1-Arachidonyl-2-linoleoyl-3-palmitoleoyl-glycerol
1-Eicosanoyl-2-(9Z,12Z-octadecadienoyl)-3-(9Z-hexadecenoyl)-glycerol
1-Palmitoleoyl-2-linoleoyl-3-arachidonyl-glycerol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010263 [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: 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: 23.71
ACD/LogD (pH 5.5): 21.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.91
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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