ChemSpider 2D Image | 1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol | C43H72O5

1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol

  • Molecular FormulaC43H72O5
  • Average mass669.029 Da
  • Monoisotopic mass668.537964 Da
  • ChemSpider ID7822831

  • 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 (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(stearoyloxy)-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-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol
4,7,10,13,16,19-Docosahexaenoic acid, (1S)-2-hydroxy-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
(2S)-1-hydroxy-3-(stearoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol
1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
1-Stearoyl-2-docosahexaenoyl-sn-glycerol
More...

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

LMGL02010216 [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 (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:77129
      A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as stearoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77129, CHEBI:77129

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

Density: 0.9±0.1 g/cm3
Boiling Point: 707.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.2±6.0 kJ/mol
Flash Point: 194.1±26.4 °C
Index of Refraction: 1.498
Molar Refractivity: 206.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.03
ACD/LogD (pH 5.5): 13.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 704.9±3.0 cm3

Click to predict properties on the Chemicalize site


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