Skip Navigation Links
ScientificNameLabel
malate
PHCD compound ID : 706
Chemical Names :
malate
Molecular Formula : C4H4O5
Molecular Weight : 132.005873
More Details :
Names & Synonyms: 2-hydroxybutanedioate , 2-oxidanylbutanedioate , 2-hydroxysuccinate
Smiles: [O-]C(=O)C[C@@H](C(=O)[O-])O
InChi : InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1
InChi Key : InChIKey=BJEPYKJPYRNKOW-REOHCLBHSA-L
PubChem ID : 160434
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 1.139967
Hydrogen bond donor count : 1 Electric dipole moment : 2.859
XLogP : -2.436 VDW volume : 113.782155
Molecular weight : 132.005873 HOMO-LUMO gap : 11.326000
Herb list :
Refrences & Litretures:
  
46.      Journal:'J. Agric. Food Chem'      Year:'2006'      Volume:'54'      Page:'8301'      DOI:'10.1021/jf0615451'      Title:'Metabolite Profiling of Wheat Grains (Triticum aestivum L.) from Organic and Conventional Agriculture'
747.      Journal:'Plant Physiol'      Year:'1991'      Volume:'96'      Page:'1228'      DOI:''      Title:'Effects of Salt Stress on Amino Acid, Organic Acid, and Carbohydrate Composition of Roots, Bacteroids, and Cytosol of Alfalfa (Medicago sativa L.)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us