Skip Navigation Links
ScientificNameLabel
Quinic acid II
PHCD compound ID : 3182
Chemical Names :
Quinic acid II
Molecular Formula : C7H12O6
Molecular Weight : 192.063388
More Details :
Names & Synonyms: (3S,5S)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid , (3S,5S)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid , (3S,5S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid , (3S,5S)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
Smiles: O[C@@H]1[C@@H](O)C[C@](C[C@@H]1O)(O)C(=O)O
InChi : InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7-/m0/s1
InChi Key : InChIKey=AAWZDTNXLSGCEK-FZTZQNQQSA-N
PubChem ID : 37439
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 10.607889
Hydrogen bond donor count : 5 Electric dipole moment : 2.783
XLogP : -1.979 VDW volume : 167.376794
Molecular weight : 192.063388 HOMO-LUMO gap : 11.279000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us