ChemSpider 2D Image | 2-[(9E)-9-Hexadecenoyloxy]-3-(palmitoyloxy)propyl (9E,12E)-9,12-octadecadienoate | C53H96O6

2-[(9E)-9-Hexadecenoyloxy]-3-(palmitoyloxy)propyl (9E,12E)-9,12-octadecadienoate

  • Molecular FormulaC53H96O6
  • Average mass829.326 Da
  • Monoisotopic mass828.720703 Da
  • ChemSpider ID59697071

  • 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

(9E,12E)-9,12-Octadécadiénoate de 2-[(9E)-9-hexadecenoyloxy]-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
2-[(9E)-9-Hexadecenoyloxy]-3-(palmitoyloxy)propyl (9E,12E)-9,12-octadecadienoate [ACD/IUPAC Name]
2-[(9E)-9-Hexadecenoyloxy]-3-(palmitoyloxy)propyl-(9E,12E)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 2-[[(9E)-1-oxo-9-hexadecen-1-yl]oxy]-3-[(1-oxohexadecyl)oxy]propyl ester, (9E,12E)- [ACD/Index Name]
(2R)-2-(hexadec-9-enoyloxy)-3-(hexadecanoyloxy)propyl octadeca-9,12-dienoate
TG(16:0/16:1(9Z)/18:2(9Z,12Z))[iso6]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 783.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 294.2±30.2 °C
Index of Refraction: 1.477
Molar Refractivity: 253.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.59
ACD/LogD (pH 5.5): 19.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.95
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: 34.8±3.0 dyne/cm
Molar Volume: 895.1±3.0 cm3

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