ChemSpider 2D Image | TG(18:0/18:2(9Z,12Z)/20:0)[iso6] | C59H110O6

TG(18:0/18:2(9Z,12Z)/20:0)[iso6]

  • Molecular FormulaC59H110O6
  • Average mass915.501 Da
  • Monoisotopic mass914.830261 Da
  • ChemSpider ID7823340

  • 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)/20:0)[iso6]
2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propyl icosanoate [ACD/IUPAC Name]
2-[(9Z,12Z)-9,12-Octadecadienoyloxy]-3-(stearoyloxy)propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, 2-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-3-[(1-oxooctadecyl)oxy]propyl ester [ACD/Index Name]
Icosanoate de 2-[(9Z,12Z)-9,12-octadecadienoyloxy]-3-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl icosanoate
1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-3-eicosanoyl-sn-glycerol
1-Stearoyl-2-linoleoyl-3-arachidonyl-glycerol
TAG(18:0/18:2/20:0)
TAG(18:0/18:2n6/20:0)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010427 [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: 836.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 306.4±28.8 °C
Index of Refraction: 1.473
Molar Refractivity: 280.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 25.29
ACD/LogD (pH 5.5): 23.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.3±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 1000.5±3.0 cm3

Click to predict properties on the Chemicalize site


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