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ScientificNameLabel
n-Heptacosanoate
PHCD compound ID : 2083
Chemical Names :
n-Heptacosanoate
Molecular Formula : C27H53O2
Molecular Weight : 409.404556
More Details :
Names & Synonyms: heptacosanoate
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
InChi : InChI=1S/C27H54O2/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)29/h2-26H2,1H3,(H,28,29)/p-1
InChi Key : InChIKey=VXZBFBRLRNDJCS-UHFFFAOYSA-M
PubChem ID : 22174003
Rotatable bond count : 25 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 4.305988
Hydrogen bond donor count : 0 Electric dipole moment : 56.786
XLogP : 13.348 VDW volume : 489.173809
Molecular weight : 409.404556 HOMO-LUMO gap : 9.069000
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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