ChemSpider 2D Image | 3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (11Z)-11-icosenoate | C59H102O6

3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (11Z)-11-icosenoate

  • Molecular FormulaC59H102O6
  • Average mass907.438 Da
  • Monoisotopic mass906.767639 Da
  • ChemSpider ID7823569

  • 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 3-[(9Z,12Z)-9,12-octadecadienoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
11-Eicosenoic acid, 3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
3-[(9Z,12Z)-9,12-Octadecadienoyloxy]-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (11Z)-icos-11-enoate
1-(11-Eicosenoyl)-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(9Z,12Z-octadecadienoyl)-glycerol
1-(9Z,12Z-octadecadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-(11Z-eicosenoyl)-sn-glycerol
1-Eicosenoyl-2-a-linolenoyl-3-linoleoyl-glycerol
TAG(20:1/18:3/18:2)
TAG(56:6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL03010657 [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: 833.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 307.1±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 281.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.06
ACD/LogD (pH 5.5): 20.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 111.4±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 974.9±3.0 cm3

Click to predict properties on the Chemicalize site


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