ChemSpider 2D Image | TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] | C59H102O6

TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]

  • Molecular FormulaC59H102O6
  • Average mass907.438 Da
  • Monoisotopic mass906.767639 Da
  • ChemSpider ID7823588

  • 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(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)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-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2R)-2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
1-Stearoyl-2-linoleoyl-3-arachidonoyl-glycerol
TAG(18:0/18:2/20:4)
TAG(18:0/18:2n6/20:4n6)
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010676 [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: 833.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 307.1±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 281.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.02
ACD/LogD (pH 5.5): 20.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.82
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: 35.2±3.0 dyne/cm
Molar Volume: 974.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement