ChemSpider 2D Image | (2S)-3-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-2-[(11Z)-11-octadecenoyloxy]propyl (11Z)-11-icosenoate | C59H104O6

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

  • Molecular FormulaC59H104O6
  • Average mass909.453 Da
  • Monoisotopic mass908.783264 Da
  • ChemSpider ID59660409

  • 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)-3-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-2-[(11Z)-11-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-3-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-2-[(11Z)-11-octadecenoyloxy]propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2S)-3-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-2-[(11Z)-11-octadecenoyloxy]propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (2S)-3-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]-2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
(2S)-2-[(11Z)-octadec-11-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (11Z)-icos-11-enoate
1-(11-Eicosenoyl)-2-(11Z-octadecenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol
1-Eicosenoyl-2-vaccenoyl-3-g-linolenoyl-glycerol
TAG(20:1/18:1/18:3)
TAG(56:5)
TG(20:1(11Z)/18:1(11Z)/18:3(6Z,9Z,12Z))
More...

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: 834.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 307.0±34.3 °C
Index of Refraction: 1.484
Molar Refractivity: 281.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.65
ACD/LogD (pH 5.5): 20.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.90
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: 35.0±3.0 dyne/cm
Molar Volume: 981.3±3.0 cm3

Click to predict properties on the Chemicalize site


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