ChemSpider 2D Image | 2-[(9Z)-9-Octadecenoyloxy]-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) | C65H104O6

2-[(9Z)-9-Octadecenoyloxy]-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 FormulaC65H104O6
  • Average mass981.518 Da
  • Monoisotopic mass980.783264 Da
  • ChemSpider ID24768297

  • 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)-9-octadecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(9Z)-9-Octadecenoyloxy]-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)-9-Octadecenoyloxy]-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)-1-oxo-9-octadecen-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-oleoyl-3-docosapentaenoyl-glycerol
3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
TAG(22:5/18:1/22:5)
TAG(22:5n3/18:1n9/22:5n3)
TAG(22:5w3/18:1w9/22:5w3)
TAG(62:11)
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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: 879.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 319.0±34.3 °C
Index of Refraction: 1.505
Molar Refractivity: 309.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 22.85
ACD/LogD (pH 5.5): 19.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 122.5±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 1042.1±3.0 cm3

Click to predict properties on the Chemicalize site


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