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ScientificNameLabel
2-Monoeicosanoylglycerol
PHCD compound ID : 3914
Chemical Names :
2-Monoeicosanoylglycerol
Molecular Formula : C23H46O4
Molecular Weight : 386.33961
More Details :
Names & Synonyms: [2-hydroxy-1-(hydroxymethyl)ethyl] icosanoate , eicosanoic acid 1,3-dihydroxypropan-2-yl ester , 1,3-dihydroxypropan-2-yl icosanoate , 1,3-bis(oxidanyl)propan-2-yl icosanoate , arachidic acid (2-hydroxy-1-methylol-ethyl) ester
Smiles: CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChi : InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h22,24-25H,2-21H2,1H3
InChi Key : InChIKey=KECCPKLXQUOWMI-UHFFFAOYSA-N
PubChem ID : 537294
Rotatable bond count : 22 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.502801
Hydrogen bond donor count : 2 Electric dipole moment : 3.282
XLogP : 8.786 VDW volume : 438.888553
Molecular weight : 386.33961 HOMO-LUMO gap : 11.272000
Herb list :
Refrences & Litretures:
  
533.      Journal:'Analyst'      Year:'2013'      Volume:'138'      Page:'6881'      DOI:'10.1039/c3an01478a'      Title:'Phytochemical analyses of Ziziphus jujuba Mill. var. spinosa seed by ultrahigh performance liquid chromatography-tandem mass spectrometry and gas chromatography-mass spectrometry'
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