ChemSpider 2D Image | TG(16:0/18:1(9Z)/20:0)[iso6] | C57H108O6

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

  • Molecular FormulaC57H108O6
  • Average mass889.464 Da
  • Monoisotopic mass888.814575 Da
  • ChemSpider ID7823116

  • 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(16:0/18:1(9Z)/20:0)[iso6]
2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl icosanoate [ACD/IUPAC Name]
2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 3-[(1-oxohexadecyl)oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester [ACD/Index Name]
Icosanoate de 2-[(9Z)-9-octadecenoyloxy]-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl icosanoate
1-hexadecanoyl-2-(9Z-octadecenoyl)-3-eicosanoyl-sn-glycerol
1-Palmitoyl-2-oleoyl-3-arachidonyl-glycerol
TAG(16:0/18:1/20:0)
TAG(16:0/18:1n9/20:0)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010201 [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: 817.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 301.5±26.0 °C
Index of Refraction: 1.470
Molar Refractivity: 271.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.75
ACD/LogD (pH 5.5): 23.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.6±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 973.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement