ChemSpider 2D Image | 1-[(6Z,9Z,12Z,15Z)-octadecatetraenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol | C43H64O5

1-[(6Z,9Z,12Z,15Z)-octadecatetraenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol

  • Molecular FormulaC43H64O5
  • Average mass660.965 Da
  • Monoisotopic mass660.475403 Da
  • ChemSpider ID24766090

  • 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-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (2S)-1-hydroxy-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-[(6Z,9Z,12Z,15Z)-octadecatetraenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol
4,7,10,13,16,19-Docosahexaenoic acid, (1S)-2-hydroxy-1-[[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
(2S)-1-hydroxy-3-{[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy}propan-2-yl (4Z,7Z,10Z,13Z,16ZZ,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
1-Stearidonoyl-2-docosahexaenoyl-sn-glycerol
DAG(18:4/22:6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A diacylglycerol 40:10 in which the acyl groups specified at positions 1 and 2 are (6<stereo>Z</stereo>,9<stereo>Z</stereo>,12<stereo>Z</stereo>,15<stereo>Z</stereo>)-octadecatetraenoyl and (4<stereo> Z</stereo>,7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>,19<stereo>Z</stereo>)-docosahexaenoyl respectively. ChEBI CHEBI:87246
      A diacylglycerol 40:10 in which the acyl groups specified at positions 1 and 2 are (6Z,9Z,12Z,15Z)-octadecatetraenoyl and (4; Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87246
      A diacylglycerol 40:10 in which the acyl groups specified at positions 1 and 2 are (6Z,9Z,12Z,15Z)-octadecatetraenoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. ChEBI CHEBI:87246

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

Density: 1.0±0.1 g/cm3
Boiling Point: 704.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 195.8±26.4 °C
Index of Refraction: 1.521
Molar Refractivity: 206.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 12.70
ACD/LogD (pH 5.5): 10.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7898903.50
ACD/LogD (pH 7.4): 10.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7898903.50
Polar Surface Area: 73 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 679.3±3.0 cm3

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