ChemSpider 2D Image | (2S)-2-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C63H102O6

(2S)-2-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC63H102O6
  • Average mass955.480 Da
  • Monoisotopic mass954.767639 Da
  • ChemSpider ID59663400

  • 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-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2S)-2-[(11Z,14Z)-11,14-Icosadienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2S)-2-[(11Z,14Z)-11,14-icosadienoyloxy]-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (2S)-2-[[(11Z,14Z)-1-oxo-11,14-eicosadien-1-yl]oxy]-3-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(11Z,14Z-eicosadienoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-2-(11Z,14Z-eicosadienoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol
1-Adrenoyl-2-eicosadienoyl-3-stearidonoyl-glycerol
TAG(22:4/20:2/18:4)
TAG(22:4/20:2n6/18:4)
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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: 864.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 315.2±34.3 °C
Index of Refraction: 1.502
Molar Refractivity: 299.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 22.69
ACD/LogD (pH 5.5): 19.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.27
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: 35.7±3.0 dyne/cm
Molar Volume: 1015.4±3.0 cm3

Click to predict properties on the Chemicalize site


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