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ScientificNameLabel
n-Hxocosanoate
PHCD compound ID : 2082
Chemical Names :
n-Hxocosanoate
Molecular Formula : C26H51O2
Molecular Weight : 395.388906
More Details :
Names & Synonyms: hexacosanoate , cerotate
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
InChi : InChI=1S/C26H52O2/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)28/h2-25H2,1H3,(H,27,28)/p-1
InChi Key : InChIKey=XMHIUKTWLZUKEX-UHFFFAOYSA-M
PubChem ID : 5461023
Rotatable bond count : 24 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 4.794102
Hydrogen bond donor count : 0 Electric dipole moment : 11.272
XLogP : 12.779 VDW volume : 471.877824
Molecular weight : 395.388906 HOMO-LUMO gap : 10.856000
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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