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ScientificNameLabel
Avenic acid
PHCD compound ID : 2424
Chemical Names :
Avenic acid
Molecular Formula : C12H22N2O8
Molecular Weight : 322.137616
More Details :
Names & Synonyms: 4-[[(1S)-1-carboxy-3-hydroxy-propyl]amino]-2-[(3-carboxy-3-hydroxy-propyl)amino]butanoic acid , 4-[[(1S)-1-carboxy-3-hydroxypropyl]amino]-2-[(3-carboxy-3-hydroxypropyl)amino]butanoic acid , 4-[[(2S)-1,4-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-2-[[3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]butanoic acid , 4-[[(1S)-1-carboxy-3-hydroxy-propyl]amino]-2-[(3-carboxy-3-hydroxy-propyl)amino]butyric acid
Smiles: OCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O
InChi : InChI=1S/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)/t7-,8-,9-/m0/s1
InChi Key : InChIKey=QUKMQOBHQMWLLR-CIUDSAMLSA-N
PubChem ID : 102239751
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 10 Ionization potential : 9.630349
Hydrogen bond donor count : 7 Electric dipole moment : 4.906
XLogP : -2.451 VDW volume : 300.514232
Molecular weight : 322.137616 HOMO-LUMO gap : 10.241000
Herb list :
Refrences & Litretures:
  
270.      Journal:'Critical Reviews in Food Science and Nutrition'      Year:'2013'      Volume:'53'      Page:'126'      DOI:'10.1080/10408398.2010.526725'      Title:'Avena sativa (Oat), A Potential Neutraceutical and Therapeutic Agent: An Overview'
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