ChemSpider 2D Image | TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3] | C55H98O6

TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]

  • Molecular FormulaC55H98O6
  • Average mass855.363 Da
  • Monoisotopic mass854.736328 Da
  • ChemSpider ID7823056
  • 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)/18:2(9Z,12Z))[iso3]
(9Z,12Z,9'Z,12'Z)Bis(-9,12-octadécadiénoate) de 3-(palmitoyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
3-(Palmitoyloxy)-1,2-propandiyl-(9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoat) [German] [ACD/IUPAC Name]
3-(Palmitoyloxy)-1,2-propanediyl (9Z,12Z,9'Z,12'Z)bis(-9,12-octadecadienoate) [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 1-[[(1-oxohexadecyl)oxy]methyl]-1,2-ethanediyl ester, (9Z,12Z,9'Z,12'Z)- [ACD/Index Name]
(2R)-1-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
1-hexadecanoyl-2,3-di-(9Z,12Z-octadecadienoyl)-sn-glycerol
1-Palmitoyl-2-linoleoyl-3-linoleoyl-glycerol
TAG(16:0/18:2/18:2)
TAG(16:0/18:2n6/18:2n6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010141 [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: 800.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 298.6±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 262.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 22.13
ACD/LogD (pH 5.5): 20.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 921.7±3.0 cm3

Click to predict properties on the Chemicalize site






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