ChemSpider 2D Image | TG(16:0/16:0/20:1(11Z))[iso3] | C55H104O6

TG(16:0/16:0/20:1(11Z))[iso3]

  • Molecular FormulaC55H104O6
  • Average mass861.411 Da
  • Monoisotopic mass860.783264 Da
  • ChemSpider ID7823012
  • 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(16:0/16:0/20:1(11Z))[iso3]
(11Z)-11-Icosénoate de 2,3-bis(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
11-Eicosenoic acid, 2,3-bis[(1-oxohexadecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
2,3-Bis(palmitoyloxy)propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
2,3-Bis(palmitoyloxy)propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
(2R)-2,3-bis(hexadecanoyloxy)propyl (11Z)-icos-11-enoate
1,2-dihexadecanoyl-3-(11Z-eicosenoyl)-sn-glycerol
1-Palmitoyl-2-palmitoyl-3-eicosenoyl-glycerol
TAG(16:0/16:0/20:1)
TAG(16:0/16:0/20:1n9)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010096 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 794.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 295.2±23.8 °C
Index of Refraction: 1.469
Molar Refractivity: 262.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.69
ACD/LogD (pH 5.5): 22.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 103.9±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 940.8±3.0 cm3

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