ChemSpider 2D Image | 2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,3-propanediyl (7Z,10Z,13Z,16Z,19Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-7,10,13,16,19-docosapentaenoate) | C65H100O6

2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,3-propanediyl (7Z,10Z,13Z,16Z,19Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-7,10,13,16,19-docosapentaenoate)

  • Molecular FormulaC65H100O6
  • Average mass977.486 Da
  • Monoisotopic mass976.752014 Da
  • ChemSpider ID24768301

  • Double-bond stereo - Double-bond stereo

More details:

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

(7Z,10Z,13Z,16Z,19Z,7'Z,10'Z,13'Z,16'Z,19'Z)Bis(-7,10,13,16,19-docosapentaénoate) 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-(7Z,10Z,13Z,16Z,19Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-7,10,13,16,19-docosapentaenoat) [German] [ACD/IUPAC Name]
2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,3-propanediyl (7Z,10Z,13Z,16Z,19Z,7'Z,10'Z,13'Z,16'Z,19'Z)bis(-7,10,13,16,19-docosapentaenoate) [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, 2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]-1,3-propanediyl ester, (7Z,10Z,13Z,16Z,19Z,7'Z,10'Z,13'Z,16'Z,19'Z)- [ACD/Index Name]
1-Docosapentaenoyl-2-a-linolenoyl-3-docosapentaenoyl-glycerol
1-Docosapentaenoyl-2-α-linolenoyl-3-docosapentaenoyl-glycerol
3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
TAG(22:5/18:3/22:5)
TAG(22:5n3/18:3n3/22:5n3)
TAG(22:5w3/18:3w3/22:5w3)
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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: 878.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 319.3±34.3 °C
Index of Refraction: 1.513
Molar Refractivity: 309.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 21.65
ACD/LogD (pH 5.5): 17.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.67
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: 36.1±3.0 dyne/cm
Molar Volume: 1029.3±3.0 cm3

Click to predict properties on the Chemicalize site


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