ChemSpider 2D Image | 3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propanediyl (11Z,14Z,11'Z,14'Z)bis(-11,14-icosadienoate) | C61H104O6

3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propanediyl (11Z,14Z,11'Z,14'Z)bis(-11,14-icosadienoate)

  • Molecular FormulaC61H104O6
  • Average mass933.475 Da
  • Monoisotopic mass932.783264 Da
  • ChemSpider ID7823991

  • 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,14Z,11'Z,14'Z)Bis(-11,14-icosadiénoate) de 3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, 1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]-1,2-ethanediyl ester, (11Z,14Z,11'Z,14'Z)- [ACD/Index Name]
3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propandiyl-(11Z,14Z,11'Z,14'Z)bis(-11,14-icosadienoat) [German] [ACD/IUPAC Name]
3-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-1,2-propanediyl (11Z,14Z,11'Z,14'Z)bis(-11,14-icosadienoate) [ACD/IUPAC Name]
(2S)-1-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (11Z,14Z)-icosa-11,14-dienoate
1-(11Z,14Z-Eicosadienoyl)-2-(11Z,14Z-eicosadienoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol
1-(9Z,12Z,15Z-octadecatrienoyl)-2,3-di-(11Z,14Z-eicosadienoyl)-sn-glycerol
1-Eicosadienoyl-2-eicosadienoyl-3-a-linolenoyl-glycerol
TAG(20:2/20:2/18:3)
TAG(20:2n6/20:2n6/18:3)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL03011080 [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: 849.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 311.1±34.3 °C
Index of Refraction: 1.492
Molar Refractivity: 290.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.60
ACD/LogD (pH 5.5): 20.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.08
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 115.1±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 1001.6±3.0 cm3

Click to predict properties on the Chemicalize site


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