ChemSpider 2D Image | TG(18:1(9Z)/20:0/20:0)[iso3] | C61H116O6

TG(18:1(9Z)/20:0/20:0)[iso3]

  • Molecular FormulaC61H116O6
  • Average mass945.570 Da
  • Monoisotopic mass944.877197 Da
  • ChemSpider ID7823563

  • 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)/20:0/20:0)[iso3]
3-[(9Z)-9-Octadecenoyloxy]-1,2-propandiyl-diicosanoat [German] [ACD/IUPAC Name]
3-[(9Z)-9-Octadecenoyloxy]-1,2-propanediyl diicosanoate [ACD/IUPAC Name]
Diicosanoate de 3-[(9Z)-9-octadecenoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
Eicosanoic acid, 1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
(2S)-1-(icosanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl icosanoate
1-(9Z-octadecenoyl)-2,3-dieicosanoyl-sn-glycerol
1-Arachidonyl-2-arachidonyl-3-oleoyl-glycerol
1-Eicosanoyl-2-eicosanoyl-3-(9Z-octadecenoyl)-glycerol
1-Oleoyl-2-arachidonyl-3-arachidonyl-glycerol
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL03010651 [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: 851.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 309.4±26.0 °C
Index of Refraction: 1.470
Molar Refractivity: 290.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 2
ACD/LogP: 26.87
ACD/LogD (pH 5.5): 25.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 25.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 1039.9±3.0 cm3

Click to predict properties on the Chemicalize site


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