ChemSpider 2D Image | 3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C61H96O6

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

  • Molecular FormulaC61H96O6
  • Average mass925.411 Da
  • Monoisotopic mass924.720703 Da
  • ChemSpider ID24768282

  • 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)-9,12-octadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
3-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-2-[(9Z,12Z)-9,12-octadecadienoyloxy]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)-9,12-octadecadienoyloxy]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)-1-oxo-9,12-octadecadien-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)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
1-Arachidonoyl-2-linoleoyl-3-eicosapentaenoyl-glycerol
TAG(20:4/18:2/20:5)
TAG(20:4n6/18:2n6/20:5n3)
TAG(20:4w6/18:2w6/20:5w3)
TAG(58:11)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 847.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 311.6±34.3 °C
Index of Refraction: 1.507
Molar Refractivity: 290.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.13
ACD/LogD (pH 5.5): 17.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.98
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: 35.9±3.0 dyne/cm
Molar Volume: 976.0±3.0 cm3

Click to predict properties on the Chemicalize site


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