ChemSpider 2D Image | (2S)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate | C61H100O6

(2S)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC61H100O6
  • Average mass929.443 Da
  • Monoisotopic mass928.752014 Da
  • ChemSpider ID59663214

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(13Z,16Z)-13,16-Docosadiénoate de (2S)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(2S)-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (2S)-3-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester, (13Z,16Z)- [ACD/Index Name]
(2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate
1-(13Z,16Z-Docosadienoyl)-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol
1-Docosadienoyl-2-a-linolenoyl-3-stearidonoyl-glycerol
TAG(22:2/18:3/18:4)
TAG(58:9)
TG(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
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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: 848.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 311.3±34.3 °C
Index of Refraction: 1.499
Molar Refractivity: 290.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.31
ACD/LogD (pH 5.5): 18.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.1±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 988.8±3.0 cm3

Click to predict properties on the Chemicalize site


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