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ScientificNameLabel
Beta-Glucose
PHCD compound ID : 1667
Chemical Names :
Beta-Glucose
Molecular Formula : C6H12O6
Molecular Weight : 180.063388
More Details :
Names & Synonyms: (2R,3R,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol , (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol , (2R,3R,4S,5S,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol
Smiles: OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChi Key : InChIKey=WQZGKKKJIJFFOK-VFUOTHLCSA-N
PubChem ID : 64689
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 10.324302
Hydrogen bond donor count : 5 Electric dipole moment : 2.159
XLogP : -1.697 VDW volume : 152.717268
Molecular weight : 180.063388 HOMO-LUMO gap : 11.346000
Herb list :
Refrences & Litretures:
  
188.      Journal:'Journal of Pharmaceutical and Biomedical Analysis'      Year:'2013'      Volume:'75'      Page:'158'      DOI:'10.1016/j.jpba.2012.11.023'      Title:'Metabolomic pro?ling of the antitussive and expectorant plant Tussilago farfara L. by nuclear magnetic resonance spectroscopy and multivariate data analysis'
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