ChemSpider 2D Image | 2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-1,3-propanediyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoate) | C67H96O6

2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-1,3-propanediyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoate)

  • Molecular FormulaC67H96O6
  • Average mass997.476 Da
  • Monoisotopic mass996.720703 Da
  • ChemSpider ID24768312

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)Bis(-4,7,10,13,16,19-docosahexaénoate) de 2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-1,3-propandiyl-(4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoat) [German] [ACD/IUPAC Name]
2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaenoyloxy]-1,3-propanediyl (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-4,7,10,13,16,19-docosahexaenoate) [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, 2-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]-1,3-propanediyl ester, (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)- [ACD/Index Name]
1-Docosahexaenoyl-2-eicosapentaenoyl-3-docosahexaenoyl-glycerol
3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
TAG(22:6/20:5/22:6)
TAG(22:6n3/20:5n3/22:6n3)
TAG(22:6w3/20:5w3/22:6w3)
TAG(64:17)
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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: 892.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 323.4±34.3 °C
Index of Refraction: 1.527
Molar Refractivity: 318.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 20.50
ACD/LogD (pH 5.5): 16.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 126.3±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 1036.8±3.0 cm3

Click to predict properties on the Chemicalize site


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