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ScientificNameLabel
1-O-octadecanoyl glycerol
PHCD compound ID : 1302
Chemical Names :
1-O-octadecanoyl glycerol
Molecular Formula : C21H42O4
Molecular Weight : 358.30831
More Details :
Names & Synonyms: [(2S)-2,3-dihydroxypropyl] octadecanoate , octadecanoic acid [(2S)-2,3-dihydroxypropyl] ester , [(2S)-2,3-bis(oxidanyl)propyl] octadecanoate , stearic acid [(2S)-2,3-dihydroxypropyl] ester
Smiles: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O
InChi : InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1
InChi Key : InChIKey=VBICKXHEKHSIBG-FQEVSTJZSA-N
PubChem ID : 15560610
Rotatable bond count : 20 Rule of five : 2
Hydrogen bond acceptor count : 4 Ionization potential : 10.410025
Hydrogen bond donor count : 2 Electric dipole moment : 4.634
XLogP : 7.648 VDW volume : 404.296584
Molecular weight : 358.30831 HOMO-LUMO gap : 11.100000
Herb list :
Refrences & Litretures:
  
139.      Journal:'Res. J. Seed Sci'      Year:'2010'      Volume:'3'      Page:'210'      DOI:''      Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'
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