ChemSpider 2D Image | (2S)-2-[(11Z)-11-Icosenoyloxy]-3-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C61H104O6

(2S)-2-[(11Z)-11-Icosenoyloxy]-3-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC61H104O6
  • Average mass933.475 Da
  • Monoisotopic mass932.783264 Da
  • ChemSpider ID59651600

  • 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)-11-Icosenoyloxy]-3-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2S)-2-[(11Z)-11-Icosenoyloxy]-3-[(9Z,12Z)-9,12-octadecadienoyloxy]propyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2S)-2-[(11Z)-11-icosenoyloxy]-3-[(9Z,12Z)-9,12-octadecadienoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2S)-2-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-Linoleoyl-2-eicosenoyl-3-arachidonoyl-glycerol
TAG(18:2/20:1/20:4)
TAG(18:2n6/20:1n9/20:4n6)
TAG(18:2w6/20:1w9/20:4w6)
TAG(58:7)
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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: 849.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 311.1±34.3 °C
Index of Refraction: 1.492
Molar Refractivity: 290.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.56
ACD/LogD (pH 5.5): 20.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.90
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: 35.3±3.0 dyne/cm
Molar Volume: 1001.6±3.0 cm3

Click to predict properties on the Chemicalize site


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