ChemSpider 2D Image | 1-alpha-linolenoyl-2-[(11Z,14Z)-icosadienoyl]-sn-glycerol | C41H70O5

1-α-linolenoyl-2-[(11Z,14Z)-icosadienoyl]-sn-glycerol

  • Molecular FormulaC41H70O5
  • Average mass642.992 Da
  • Monoisotopic mass642.522339 Da
  • ChemSpider ID7822734
  • 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)-11,14-Icosadiénoate de (2S)-1-hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, (1S)-2-hydroxy-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (11Z,14Z)- [ACD/Index Name]
1-α-linolenoyl-2-[(11Z,14Z)-icosadienoyl]-sn-glycerol
(2S)-1-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (11Z,14Z)-icosa-11,14-dienoate
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycerol
1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]-2-[(11Z,14Z)-icosa-11,14-dienoyl]-sn-glycerol
1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(11Z,14Z)-icosadienoyl]-sn-glycerol
1-a-Linolenoyl-2-eicosadienoyl-sn-glycerol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL02010119 [DBID]
  • Miscellaneous
    • Chemical Class:

      A 1,2-diacyl-<ital>sn</ital>-glycerol in which the acyl groups positions 1 and 2 are specified as <greek>alpha</greek>-linolenoyl and (11<stereo>Z</stereo>,14<stereo>Z</stereo>)-icosadienoyl respectiv ely. ChEBI CHEBI:89239
      A 1,2-diacyl-sn-glycerol in which the acyl groups positions 1 and 2 are specified as alpha-linolenoyl and (11Z,14Z)-icosadienoyl respectiv; ely. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89239
      A 1,2-diacyl-sn-glycerol in which the acyl groups positions 1 and 2 are specified as alpha-linolenoyl and (11Z,14Z)-icosadienoyl respectively. ChEBI CHEBI:89239

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

Density: 0.9±0.1 g/cm3
Boiling Point: 688.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 190.7±23.6 °C
Index of Refraction: 1.494
Molar Refractivity: 197.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 14.78
ACD/LogD (pH 5.5): 12.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 678.2±3.0 cm3

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