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ScientificNameLabel
n-Docosanoate
PHCD compound ID : 2079
Chemical Names :
n-Docosanoate
Molecular Formula : C22H43O2
Molecular Weight : 339.326306
More Details :
Names & Synonyms: docosanoate , behenate
Smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
InChi : InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)/p-1
InChi Key : InChIKey=UKMSUNONTOPOIO-UHFFFAOYSA-M
PubChem ID : 5460660
Rotatable bond count : 20 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 4.284458
Hydrogen bond donor count : 0 Electric dipole moment : 40.334
XLogP : 10.503 VDW volume : 402.693886
Molecular weight : 339.326306 HOMO-LUMO gap : 9.383000
Herb list :
Refrences & Litretures:
  
249.      Journal:'Pak. J. Bot'      Year:'2008'      Volume:'40'      Page:'2553'      DOI:''      Title:'CHEMICAL CONSTITUENTS OF TAMARINDUS INDICA L. MEDICINAL PLANT IN SINDH'
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