ChemSpider 2D Image | 2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C54H98O6

2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC54H98O6
  • Average mass843.352 Da
  • Monoisotopic mass842.736328 Da
  • ChemSpider ID24768315

  • 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

(8Z,11Z,14Z)-8,11,14-Icosatriénoate de 2-(palmitoyloxy)-3-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
2-(Palmitoyloxy)-3-(pentadecanoyloxy)propyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 2-[(1-oxohexadecyl)oxy]-3-[(1-oxopentadecyl)oxy]propyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2R)-2-(hexadecanoyloxy)-3-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-pentadecanoyl-2-hexadecanoyl-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
1-Pentadecanoyl-2-palmitoyl-3-homo-g-linolenoyl-glycerol
1-Pentadecanoyl-2-palmitoyl-3-homo-γ-linolenoyl-glycerol
TAG(15:0/16:0/20:3)
TAG(15:0/16:0/20:3n6)
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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: 792.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 296.4±30.2 °C
Index of Refraction: 1.477
Molar Refractivity: 257.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 21.96
ACD/LogD (pH 5.5): 20.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 911.6±3.0 cm3

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