ChemSpider 2D Image | 2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl (11Z,14Z)-11,14-icosadienoate | C54H100O6

2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl (11Z,14Z)-11,14-icosadienoate

  • Molecular FormulaC54H100O6
  • Average mass845.368 Da
  • Monoisotopic mass844.752014 Da
  • ChemSpider ID24768314

  • 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

(11Z,14Z)-11,14-Icosadiénoate de 2-(palmitoyloxy)-3-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, 2-[(1-oxohexadecyl)oxy]-3-[(1-oxopentadecyl)oxy]propyl ester, (11Z,14Z)- [ACD/Index Name]
2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
(2R)-2-(hexadecanoyloxy)-3-(pentadecanoyloxy)propyl (11Z,14Z)-icosa-11,14-dienoate
1-pentadecanoyl-2-hexadecanoyl-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
1-Pentadecanoyl-2-palmitoyl-3-eicosadienoyl-glycerol
TAG(15:0/16:0/20:2)
TAG(15:0/16:0/20:2n6)
TAG(15:0/16:0/20:2w6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 787.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 293.9±24.6 °C
Index of Refraction: 1.473
Molar Refractivity: 257.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.64
ACD/LogD (pH 5.5): 21.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 102.1±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 918.0±3.0 cm3

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