ChemSpider 2D Image | 1,2-di-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol | C47H76O5

1,2-di-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol

  • Molecular FormulaC47H76O5
  • Average mass721.103 Da
  • Monoisotopic mass720.569275 Da
  • ChemSpider ID7822913

  • 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)-3-Hydroxy-1,2-propandiyl-(7Z,10Z,13Z,16Z,7'Z,10'Z,13'Z,16'Z)bis(-7,10,13,16-docosatetraenoat) [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propanediyl (7Z,10Z,13Z,16Z,7'Z,10'Z,13'Z,16'Z)bis(-7,10,13,16-docosatetraenoate) [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,7'Z,10'Z,13'Z,16'Z)Bis(-7,10,13,16-docosatétraénoate) de (2S)-3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
1,2-di-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
7,10,13,16-Docosatetraenoic acid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester, (7Z,10Z,13Z,16Z,7'Z,10'Z,13'Z,16'Z)- [ACD/Index Name]
"1,2-DIADRENOYL-RAC-GLYCEROL"
(2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-hydroxypropan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
(2S)-3-hydroxypropane-1,2-diyl (7Z,10Z,13Z,16Z,7'Z,10'Z,13'Z,16'Z)bis-docosa-7,10,13,16-tetraenoate
1,2-Diadrenoyl-rac-glycerol
DAG(22:4/22:4)
More...

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

LMGL02010298 [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 7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>-docosatetraenoyl . ChEBI CHEBI:84440
      A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as 7Z,10Z,13Z,16Z-docosatetraenoyl. ChEBI CHEBI:84440
      A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as 7Z,10Z,13Z,16Z-docosatetraenoyl; . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84440

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

Density: 1.0±0.1 g/cm3
Boiling Point: 743.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 200.5±26.4 °C
Index of Refraction: 1.506
Molar Refractivity: 225.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 15.93
ACD/LogD (pH 5.5): 13.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 758.1±3.0 cm3

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