ChemSpider 2D Image | 1,3-Bis(palmitoyloxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C55H98O6

1,3-Bis(palmitoyloxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC55H98O6
  • Average mass855.363 Da
  • Monoisotopic mass854.736328 Da
  • ChemSpider ID30777724

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de 1,3-bis(palmitoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis(palmitoyloxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
1,3-Bis(palmitoyloxy)-2-propanyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
1,3-bis(hexadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-Hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-hexadecanoyl-glycerol
1-Palmitoyl-2-arachidonoyl-3-palmitoyl-glycerol
2-(((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl)oxy)propane-1,3-diyl dipalmitate
TAG(16:0/20:4/16:0)
TAG(52:4)
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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: 800.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 298.6±34.3 °C
Index of Refraction: 1.481
Molar Refractivity: 262.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 21.93
ACD/LogD (pH 5.5): 20.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.27
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: 34.9±3.0 dyne/cm
Molar Volume: 921.7±3.0 cm3

Click to predict properties on the Chemicalize site


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