ChemSpider 2D Image | 1,3-Bis[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C65H104O6

1,3-Bis[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC65H104O6
  • Average mass981.518 Da
  • Monoisotopic mass980.783264 Da
  • ChemSpider ID30778180

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de 1,3-bis[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1,3-Bis[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
1,3-Bis[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-propanyl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, 2-[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]-1-[[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol
1,3-bis[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
1-Homo-g-linolenoyl-2-osbondoyl-3-homo-g-linolenoyl-glycerol
TAG(20:3/22:5/20:3)
TAG(20:3n6/22:5/20:3n6)
TAG(20:3w6/22:5/20:3w6)
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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: 23.20
ACD/LogD (pH 5.5): 20.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.04
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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