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ScientificNameLabel
vitamin B6
PHCD compound ID : 729
Chemical Names :
vitamin B6 , Pyridoxine
Molecular Formula : C8H11N1O3
Molecular Weight : 169.073893
More Details :
Names & Synonyms: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol , 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol , 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol , 2-methyl-4,5-dimethylol-pyridin-3-ol
Smiles: OCc1c(CO)cnc(c1O)C
InChi : InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
InChi Key : InChIKey=LXNHXLLTXMVWPM-UHFFFAOYSA-N
PubChem ID : 1054
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.597095
Hydrogen bond donor count : 3 Electric dipole moment : 2.914
XLogP : -1.224 VDW volume : 153.125941
Molecular weight : 169.073893 HOMO-LUMO gap : 9.029000
Herb list :
Refrences & Litretures:
  
48.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'1375'      DOI:'10.1021/jf035218u'      Title:'The Composition of Grain and Forage from Glyphosate Tolerant Wheat MON 71800 Is Equivalent to That of Conventional Wheat (Triticum aestivum L.)'
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
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