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ScientificNameLabel
Gallic acid O-malic acid
PHCD compound ID : 3188
Chemical Names :
Gallic acid O-malic acid
Molecular Formula : C11H10O9
Molecular Weight : 286.032482
More Details :
Names & Synonyms: (2S)-2-(3,4,5-trihydroxybenzoyl)oxybutanedioic acid , (2S)-2-[oxo-(3,4,5-trihydroxyphenyl)methoxy]butanedioic acid , (2S)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyloxybutanedioic acid , (2S)-2-galloyloxysuccinic acid
Smiles: OC(=O)C[C@@H](C(=O)O)OC(=O)c1cc(O)c(c(c1)O)O
InChi : InChI=1S/C11H10O9/c12-5-1-4(2-6(13)9(5)16)11(19)20-7(10(17)18)3-8(14)15/h1-2,7,12-13,16H,3H2,(H,14,15)(H,17,18)/t7-/m0/s1
InChi Key : InChIKey=NSOJLVUORKKGRI-ZETCQYMHSA-N
PubChem ID : 101010963
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 9.186950
Hydrogen bond donor count : 5 Electric dipole moment : 3.836
XLogP : 0.31 VDW volume : 238.849119
Molecular weight : 286.032482 HOMO-LUMO gap : 8.257000
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'
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