Skip Navigation Links
ScientificNameLabel
triacontanoic
PHCD compound ID : 2051
Chemical Names :
triacontanoic
Molecular Formula : C30H60O2
Molecular Weight : 452.459331
More Details :
Names & Synonyms: triacontanoic acid , melissic acid
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChi : InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)
InChi Key : InChIKey=VHOCUJPBKOZGJD-UHFFFAOYSA-N
PubChem ID : 10471
Rotatable bond count : 28 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.544747
Hydrogen bond donor count : 1 Electric dipole moment : 2.053
XLogP : 15.536 VDW volume : 542.379992
Molecular weight : 452.459331 HOMO-LUMO gap : 11.515000
Herb list :
Refrences & Litretures:
  
243.      Journal:'Phytother. Res'      Year:'2015'      Volume:'29'      Page:'1'      DOI:'10.1002/ptr.5222'      Title:'Alhagi: A Plant Genus Rich in Bioactives for Pharmaceuticals'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us