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ScientificNameLabel
n-Pentacosenoic acid
PHCD compound ID : 2090
Chemical Names :
n-Pentacosenoic acid
Molecular Formula : C25H48O2
Molecular Weight : 380.365431
More Details :
Names & Synonyms: pentacos-2-enoic acid , 2-pentacosenoic acid
Smiles: CCCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)O
InChi : InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h23-24H,2-22H2,1H3,(H,26,27)/b24-23+
InChi Key : InChIKey=BKYOGHHPWJADCZ-WCWDXBQESA-N
PubChem ID : 53687588
Rotatable bond count : 22 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.675138
Hydrogen bond donor count : 1 Electric dipole moment : 3.659
XLogP : 12.58 VDW volume : 453.26361
Molecular weight : 380.365431 HOMO-LUMO gap : 10.431000
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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