ChemSpider 2D Image | TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6] | C57H102O6

TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]

  • Molecular FormulaC57H102O6
  • Average mass883.416 Da
  • Monoisotopic mass882.767639 Da
  • ChemSpider ID7823217
  • 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(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]
(11Z)-11-Icosénoate de 3-[(9Z)-9-hexadecenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
11-Eicosenoic acid, 3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
3-[(9Z)-9-Hexadecenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
(2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (11Z)-icos-11-enoate
1-(9Z-hexadecenoyl)-2-(9Z,12Z-octadecadienoyl)-3-(11Z-eicosenoyl)-sn-glycerol
1-Palmitoleoyl-2-linoleoyl-3-eicosenoyl-glycerol
TAG(16:1/18:2/20:1)
TAG(16:1n7/18:2n6/20:1n9)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010303 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 818.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 302.8±31.5 °C
Index of Refraction: 1.481
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.19
ACD/LogD (pH 5.5): 20.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 954.7±3.0 cm3

Click to predict properties on the Chemicalize site






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