ChemSpider 2D Image | 2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl (4Z,7Z,10Z,13Z,16Z,4'Z,7'Z,10'Z,13'Z,16'Z)bis(-4,7,10,13,16-docosapentaenoate) | C65H104O6

2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl (4Z,7Z,10Z,13Z,16Z,4'Z,7'Z,10'Z,13'Z,16'Z)bis(-4,7,10,13,16-docosapentaenoate)

  • Molecular FormulaC65H104O6
  • Average mass981.518 Da
  • Monoisotopic mass980.783264 Da
  • ChemSpider ID30778281

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z,4'Z,7'Z,10'Z,13'Z,16'Z)Bis(-4,7,10,13,16-docosapentaénoate) de 2-[(11Z)-11-octadecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(11Z)-11-Octadecenoyloxy]-1,3-propandiyl-(4Z,7Z,10Z,13Z,16Z,4'Z,7'Z,10'Z,13'Z,16'Z)bis(-4,7,10,13,16-docosapentaenoat) [German] [ACD/IUPAC Name]
2-[(11Z)-11-Octadecenoyloxy]-1,3-propanediyl (4Z,7Z,10Z,13Z,16Z,4'Z,7'Z,10'Z,13'Z,16'Z)bis(-4,7,10,13,16-docosapentaenoate) [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, 2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-1,3-propanediyl ester, (4Z,7Z,10Z,13Z,16Z,4'Z,7'Z,10'Z,13'Z,16'Z)- [ACD/Index Name]
1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-(11Z-octadecenoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol
1-Osbondoyl-2-vaccenoyl-3-osbondoyl-glycerol
3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
TAG(22:5/18:1/22:5)
TAG(62:11)
TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
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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: 23.23
ACD/LogD (pH 5.5): 20.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.05
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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