Found 1 result

Search term: 59655978 (Found by CSID)
ChemSpider 2D Image | (2S)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl docosanoate | C63H108O6

(2S)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl docosanoate

  • Molecular FormulaC63H108O6
  • Average mass961.528 Da
  • Monoisotopic mass960.814575 Da
  • ChemSpider ID59655978

  • 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

(2S)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl docosanoate [ACD/IUPAC Name]
(2S)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraenoyloxy]-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2S)-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, (2S)-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-3-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]propyl ester [ACD/Index Name]
(2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl docosanoate
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-docosanoyl-sn-glycerol
1-Behenoyl-2-arachidonoyl-3-g-linolenoyl-glycerol
1-Docosanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol
TAG(22:0/20:4/18:3)
TAG(60:7)
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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: 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: 24.53
ACD/LogD (pH 5.5): 22.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.04
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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