ChemSpider 2D Image | TG(16:0/16:0/18:2(9Z,12Z))[iso3] | C53H98O6

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

  • Molecular FormulaC53H98O6
  • Average mass831.342 Da
  • Monoisotopic mass830.736328 Da
  • ChemSpider ID7822962
  • 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(16:0/16:0/18:2(9Z,12Z))[iso3]
(9Z,12Z)-9,12-Octadécadiénoate de 2,3-bis(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 2,3-bis[(1-oxohexadecyl)oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
(2R)-2,3-bis(hexadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate
1,2-dihexadecanoyl-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
1-Palmitoyl-2-palmitoyl-3-linoleoyl-glycerol
TAG(16:0/16:0/18:2)
TAG(16:0/16:0/18:2n6)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010044 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 784.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 293.9±27.4 °C
Index of Refraction: 1.473
Molar Refractivity: 253.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 22.10
ACD/LogD (pH 5.5): 20.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 901.4±3.0 cm3

Click to predict properties on the Chemicalize site






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