Found 1 result

Search term: 59656074 (Found by CSID)
ChemSpider 2D Image | 3-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl docosanoate | C63H108O6

3-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl docosanoate

  • Molecular FormulaC63H108O6
  • Average mass961.528 Da
  • Monoisotopic mass960.814575 Da
  • ChemSpider ID59656074

  • 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,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl docosanoate [ACD/IUPAC Name]
3-[(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 3-[(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 3-[[(8Z,11Z,14Z,17Z)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl docosanoate
1-Behenoyl-2-a-linolenoyl-3-eicsoatetraenoyl-glycerol
1-Docosanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol
TAG(22:0/18:3/20:4)
TAG(60:7)
TG(22:0/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
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: 24.34
ACD/LogD (pH 5.5): 21.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.25
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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