ChemSpider 2D Image | TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] | C59H100O6

TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]

  • Molecular FormulaC59H100O6
  • Average mass905.422 Da
  • Monoisotopic mass904.752014 Da
  • ChemSpider ID7823652

  • 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

TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2R)-2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2R)-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-(9Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
1-Oleoyl-2-linoleoyl-3-arachidonoyl-glycerol
TAG(18:1/18:2/20:4)
TAG(18:1n9/18:2n6/20:4n6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010741 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 832.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 307.2±34.3 °C
Index of Refraction: 1.492
Molar Refractivity: 281.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.50
ACD/LogD (pH 5.5): 20.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.4±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 968.6±3.0 cm3

Click to predict properties on the Chemicalize site


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