ChemSpider 2D Image | 2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-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) | C65H96O6

2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-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 FormulaC65H96O6
  • Average mass973.454 Da
  • Monoisotopic mass972.720703 Da
  • ChemSpider ID24768310

  • 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-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-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-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-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-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-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-a-linolenoyl-3-docosahexaenoyl-glycerol
1-Docosahexaenoyl-2-α-linolenoyl-3-docosahexaenoyl-glycerol
3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
TAG(22:6/18:3/22:6)
TAG(22:6n3/18:3n3/22:6n3)
TAG(22:6w3/18:3w3/22:6w3)
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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: 1.0±0.1 g/cm3
Boiling Point: 877.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 319.6±34.3 °C
Index of Refraction: 1.521
Molar Refractivity: 309.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 20.67
ACD/LogD (pH 5.5): 16.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 122.6±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 1016.5±3.0 cm3

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