ChemSpider 2D Image | 1-alpha-linolenoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycerol | C41H68O5

1-α-linolenoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycerol

  • Molecular FormulaC41H68O5
  • Average mass640.976 Da
  • Monoisotopic mass640.506653 Da
  • ChemSpider ID24766059

  • 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

(2S)-1-Hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (2S)-1-hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-α-linolenoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycerol
5,8,11-Eicosatrienoic acid, (1S)-2-hydroxy-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]-sn-glycerol
1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycerol
1-a-Linolenoyl-2-meadoyl-sn-glycerol
1-α-Linolenoyl-2-meadoyl-sn-glycerol
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • 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 (5<stereo>Z</stereo>,8<stereo>Z</stereo>,11<stereo>Z</stereo>)-ico satrienoyl respectively. ChEBI CHEBI:89238
      A 1,2-diacyl-sn-glycerol in which the acyl groups positions 1 and 2 are specified as alpha-linolenoyl and (5Z,8Z,11Z)-ico; satrienoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:89238
      A 1,2-diacyl-sn-glycerol in which the acyl groups positions 1 and 2 are specified as alpha-linolenoyl and (5Z,8Z,11Z)-icosatrienoyl respectively. ChEBI CHEBI:89238

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

Density: 1.0±0.1 g/cm3
Boiling Point: 687.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 191.1±25.0 °C
Index of Refraction: 1.499
Molar Refractivity: 197.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.22
ACD/LogD (pH 5.5): 12.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 671.8±3.0 cm3

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