ChemSpider 2D Image | 1-oleoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol | C41H72O5

1-oleoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol

  • Molecular FormulaC41H72O5
  • Average mass645.007 Da
  • Monoisotopic mass644.537964 Da
  • ChemSpider ID7822726

  • 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)-9-octadecenoyloxy]-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z)-9-octadecenoyloxy]-2-propanyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-8,11,14-Icosatriénoate de (2S)-1-hydroxy-3-[(9Z)-9-octadecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-oleoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
8,11,14-Eicosatrienoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-(9Z-octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
1-Oleoyl-2-homo-g-linolenoyl-sn-glycerol
1-Oleoyl-2-homo-γ-linolenoyl-sn-glycerol
DAG(18:1/20:3)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL02010110 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 1,2-diacyl-<ital>sn</ital>-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl and 8<stereo>Z</stereo>,11<stereo>Z</stereo>,14<stereo>Z</stereo>-eicosatrienoyl respectivel y. ChEBI CHEBI:84437
      A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl and 8Z,11Z,14Z-eicosatrienoyl respectivel; y. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84437
      A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl and 8Z,11Z,14Z-eicosatrienoyl respectively. ChEBI CHEBI:84437

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

Density: 0.9±0.1 g/cm3
Boiling Point: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.5±6.0 kJ/mol
Flash Point: 190.3±25.0 °C
Index of Refraction: 1.488
Molar Refractivity: 197.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.30
ACD/LogD (pH 5.5): 13.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.20
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: 35.9±3.0 dyne/cm
Molar Volume: 684.6±3.0 cm3

Click to predict properties on the Chemicalize site


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