ChemSpider 2D Image | TG(16:0/16:1(9Z)/18:1(9Z))[iso6] | C53H98O6

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

  • Molecular FormulaC53H98O6
  • Average mass831.342 Da
  • Monoisotopic mass830.736328 Da
  • ChemSpider ID7822961

  • 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(16:0/16:1(9Z)/18:1(9Z))[iso6]
(9Z)-9-Octadécénoate de 2-[(9Z)-9-hexadecenoyloxy]-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol
2-[(9Z)-9-Hexadecenoyloxy]-3-(palmitoyloxy)propyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
2-[(9Z)-9-Hexadecenoyloxy]-3-(palmitoyloxy)propyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-3-[(1-oxohexadecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate
(2R)-3-(hexadecanoyloxy)-2-{[(9Z)-hexadec-9-enoyl]oxy}propyl (9Z)-octadec-9-enoate
1-hexadecanoyl-2-(9Z-hexadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol
1-Palmitoyl-2-palmitoleoyl-3-oleoyl-glycerol
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010043 [DBID]
  • Miscellaneous

    • Chemical Class:

      A triacyl-<ital>sn</ital>-glycerol in which the which the acyl groups at positions 1, 2 and 3 are specified as hexadecanoyl, (9<stereo>Z</stereo>)-hexadecenoyl and (9<stereo>Z</stereo>)-octadecenoyl r espectively. ChEBI CHEBI:109455
      A triacyl-sn-glycerol in which the which the acyl groups at positions 1, 2 and 3 are specified as hexadecanoyl, (9Z)-hexadecenoyl and (9Z)-octadecenoyl r; espectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:109455
      A triacyl-sn-glycerol in which the which the acyl groups at positions 1, 2 and 3 are specified as hexadecanoyl, (9Z)-hexadecenoyl and (9Z)-octadecenoyl respectively. ChEBI CHEBI:109455

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 784.6±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: 294.1±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): 20.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.48
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


Advertisement