ChemSpider 2D Image | 1-stearoyl-2-(8Z,11Z,14Z-icosa-8,11,14-trienoyl)-sn-glycerol | C41H74O5

1-stearoyl-2-(8Z,11Z,14Z-icosa-8,11,14-trienoyl)-sn-glycerol

  • Molecular FormulaC41H74O5
  • Average mass647.023 Da
  • Monoisotopic mass646.553650 Da
  • ChemSpider ID7822717

  • 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-(stearoyloxy)-2-propanyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(stearoyloxy)-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-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-stearoyl-2-(8Z,11Z,14Z-icosa-8,11,14-trienoyl)-sn-glycerol
8,11,14-Eicosatrienoic acid, (1S)-2-hydroxy-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
1-octadecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
1-Stearoyl-2-homo-g-linolenoyl-sn-glycerol
1-Stearoyl-2-homo-γ-linolenoyl-sn-glycerol
DAG(18:0/20:3)
More...

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

LMGL02010101 [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 stearoyl and 8<stereo>Z</stereo>,11<stereo>Z</stereo>,14<stereo>Z</stereo>-icosa-8,11,14-trienoyl r espectively. ChEBI CHEBI:84433
      A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as stearoyl and 8Z,11Z,14Z-icosa-8,11,14-trienoyl r; espectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84433
      A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as stearoyl and 8Z,11Z,14Z-icosa-8,11,14-trienoyl respectively. ChEBI CHEBI:84433

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

Density: 0.9±0.1 g/cm3
Boiling Point: 689.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 189.9±22.2 °C
Index of Refraction: 1.483
Molar Refractivity: 197.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.81
ACD/LogD (pH 5.5): 14.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.31
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: 35.7±3.0 dyne/cm
Molar Volume: 691.0±3.0 cm3

Click to predict properties on the Chemicalize site


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