ChemSpider 2D Image | (2S)-2-(Icosanoyloxy)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl (11Z)-11-icosenoate | C61H110O6

(2S)-2-(Icosanoyloxy)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl (11Z)-11-icosenoate

  • Molecular FormulaC61H110O6
  • Average mass939.523 Da
  • Monoisotopic mass938.830261 Da
  • ChemSpider ID59660320

  • 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

(11Z)-11-Icosénoate de (2S)-2-(icosanoyloxy)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-2-(Icosanoyloxy)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2S)-2-(Icosanoyloxy)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (2S)-2-[(1-oxoeicosyl)oxy]-3-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
(2S)-2-(icosanoyloxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (11Z)-icos-11-enoate
1-(11-Eicosenoyl)-2-eicosanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol
1-(6Z,9Z,12Z-octadecatrienoyl)-2-eicosanoyl-3-(11Z-eicosenoyl)-sn-glycerol
1-Eicosenoyl-2-arachidonyl-3-g-linolenoyl-glycerol
TAG(20:1/20:0/18:3)
TAG(58:4)
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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: 25.23
ACD/LogD (pH 5.5): 22.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.96
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

Click to predict properties on the Chemicalize site


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