ChemSpider 2D Image | 3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C61H94O6

3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC61H94O6
  • Average mass923.396 Da
  • Monoisotopic mass922.705017 Da
  • ChemSpider ID24768270

  • 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

(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de 3-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, 3-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
1-a-Linolenoyl-2-arachidonoyl-3-eicosapentaenoyl-glycerol
1-α-Linolenoyl-2-arachidonoyl-3-eicosapentaenoyl-glycerol
TAG(18:3/20:4/20:5)
TAG(18:3n3/20:4n6/20:5n3)
TAG(18:3w3/20:4w6/20:5w3)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 846.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 311.7±34.3 °C
Index of Refraction: 1.511
Molar Refractivity: 290.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 20.44
ACD/LogD (pH 5.5): 17.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.2±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 969.6±3.0 cm3

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