ChemSpider 2D Image | TG(18:2(9Z,12Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6] | C57H98O6

TG(18:2(9Z,12Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]

  • Molecular FormulaC57H98O6
  • Average mass879.384 Da
  • Monoisotopic mass878.736328 Da
  • ChemSpider ID24768248

  • 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

(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de 3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-[(9Z)-9-octadecenoyloxy]propyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, 3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
TG(18:2(9Z,12Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]
(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1-Linoleoyl-2-oleoyl-3-a-linolenoyl-glycerol
1-Linoleoyl-2-oleoyl-3-α-linolenoyl-glycerol
TAG(18:2/18:1/18:3)
TAG(18:2n6/18:1n9/18:3n3)
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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: 816.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 303.0±34.3 °C
Index of Refraction: 1.489
Molar Refractivity: 271.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 22.00
ACD/LogD (pH 5.5): 19.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.30
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: 35.2±3.0 dyne/cm
Molar Volume: 941.9±3.0 cm3

Click to predict properties on the Chemicalize site


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