ChemSpider 2D Image | 2-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-1,3-propanediyl diicosanoate | C61H110O6

2-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-1,3-propanediyl diicosanoate

  • Molecular FormulaC61H110O6
  • Average mass939.523 Da
  • Monoisotopic mass938.830261 Da
  • ChemSpider ID30777785

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-1,3-propandiyl-diicosanoat [German] [ACD/IUPAC Name]
2-[(6Z,9Z,12Z,15Z)-6,9,12,15-Octadecatetraenoyloxy]-1,3-propanediyl diicosanoate [ACD/IUPAC Name]
Diicosanoate de 2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
Eicosanoic acid, 2-[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]-1,3-propanediyl ester [ACD/Index Name]
1-Arachidonyl-2-stearidonoyl-3-arachidonyl-glycerol
1-Eicosanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-eicosanoyl-glycerol
3-(icosanoyloxy)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl icosanoate
TAG(20:0/18:4/20:0)
TAG(58:4)
TG(20:0/18:4(6Z,9Z,12Z,15Z)/20:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 851.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 310.7±34.3 °C
Index of Refraction: 1.480
Molar Refractivity: 290.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 25.07
ACD/LogD (pH 5.5): 22.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.86
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: 34.8±3.0 dyne/cm
Molar Volume: 1020.7±3.0 cm3

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