Found 1 result

Search term: 59656091 (Found by CSID)
ChemSpider 2D Image | 3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl docosanoate | C63H108O6

3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl docosanoate

  • Molecular FormulaC63H108O6
  • Average mass961.528 Da
  • Monoisotopic mass960.814575 Da
  • ChemSpider ID59656091

  • 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

3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl docosanoate [ACD/IUPAC Name]
3-[(8Z,11Z,14Z)-8,11,14-Icosatrienoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 3-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 3-[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]-2-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl docosanoate
1-Behenoyl-2-stearidonoyl-3-homo-g-linolenoyl-glycerol
1-Docosanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol
TAG(22:0/18:4/20:3)
TAG(22:0/18:4/20:3n6)
TAG(22:0/18:4/20:3w6)
More...

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: 866.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 314.8±34.3 °C
Index of Refraction: 1.491
Molar Refractivity: 299.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 2
ACD/LogP: 24.41
ACD/LogD (pH 5.5): 21.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 118.8±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 1034.6±3.0 cm3

Click to predict properties on the Chemicalize site


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