ChemSpider 2D Image | TG(18:0/20:0/20:0)[iso3] | C61H118O6

TG(18:0/20:0/20:0)[iso3]

  • Molecular FormulaC61H118O6
  • Average mass947.586 Da
  • Monoisotopic mass946.892822 Da
  • ChemSpider ID7823501

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

TG(18:0/20:0/20:0)[iso3]
3-(Stearoyloxy)-1,2-propandiyl-diicosanoat [German] [ACD/IUPAC Name]
3-(Stearoyloxy)-1,2-propanediyl diicosanoate [ACD/IUPAC Name]
Diicosanoate de 3-(stearoyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
Eicosanoic acid, 1-[[(1-oxooctadecyl)oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
(2R)-1-(icosanoyloxy)-3-(octadecanoyloxy)propan-2-yl icosanoate
1-octadecanoyl-2,3-dieicosanoyl-sn-glycerol
1-Stearoyl-2-arachidonyl-3-arachidonyl-glycerol
TAG(18:0/20:0/20:0)
TAG(58:0)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010589 [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: 847.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 307.4±25.2 °C
Index of Refraction: 1.466
Molar Refractivity: 289.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 60
#Rule of 5 Violations: 2
ACD/LogP: 27.39
ACD/LogD (pH 5.5): 25.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 25.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 114.9±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 1046.3±3.0 cm3

Click to predict properties on the Chemicalize site


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