ChemSpider 2D Image | TG(16:0/18:0/18:2(9Z,12Z))[iso6] | C55H102O6

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

  • Molecular FormulaC55H102O6
  • Average mass859.395 Da
  • Monoisotopic mass858.767639 Da
  • ChemSpider ID7823019

  • 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(16:0/18:0/18:2(9Z,12Z))[iso6]
(9Z,12Z)-9,12-Octadécadiénoate de 3-(palmitoyloxy)-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
3-(Palmitoyloxy)-2-(stearoyloxy)propyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
3-(Palmitoyloxy)-2-(stearoyloxy)propyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 3-[(1-oxohexadecyl)oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate
1-hexadecanoyl-2-octadecanoyl-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
1-Palmitoyl-2-stearoyl-3-linoleoyl-glycerol
TAG(16:0/18:0/18:2)
TAG(16:0/18:0/18:2n6)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010104 [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: 801.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 298.2±28.8 °C
Index of Refraction: 1.473
Molar Refractivity: 262.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.17
ACD/LogD (pH 5.5): 21.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.68
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: 34.6±3.0 dyne/cm
Molar Volume: 934.5±3.0 cm3

Click to predict properties on the Chemicalize site


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