ChemSpider 2D Image | 1,3-Bis(palmitoyloxy)-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C55H100O6

1,3-Bis(palmitoyloxy)-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate

  • Molecular FormulaC55H100O6
  • Average mass857.379 Da
  • Monoisotopic mass856.752014 Da
  • ChemSpider ID30777722

  • Double-bond stereo - Double-bond stereo

More details:

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

(8Z,11Z,14Z)-8,11,14-Icosatriénoate de 1,3-bis(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis(palmitoyloxy)-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
1,3-Bis(palmitoyloxy)-2-propanyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
1,3-bis(hexadecanoyloxy)propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-Hexadecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-hexadecanoyl-glycerol
1-Palmitoyl-2-homo-g-linolenoyl-3-palmitoyl-glycerol
TAG(16:0/20:3/16:0)
TAG(16:0/20:3n6/16:0)
TAG(16:0/20:3w6/16:0)
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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: 801.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 298.5±31.5 °C
Index of Refraction: 1.477
Molar Refractivity: 262.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.49
ACD/LogD (pH 5.5): 20.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 928.1±3.0 cm3

Click to predict properties on the Chemicalize site


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