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ScientificNameLabel
Benzyl beta-D-glucopyranoside
PHCD compound ID : 2364
Chemical Names :
Benzyl beta-D-glucopyranoside
Molecular Formula : C13H18O6
Molecular Weight : 270.110338
More Details :
Names & Synonyms: (2R,5R)-2-benzyloxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (3R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol , (3R,6R)-2-(hydroxymethyl)-6-phenylmethoxy-oxane-3,4,5-triol , (2R,5R)-2-benzoxy-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12+,13+/m0/s1
InChi Key : InChIKey=GKHCBYYBLTXYEV-KIJLLGNVSA-N
PubChem ID : 57358108
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.839581
Hydrogen bond donor count : 4 Electric dipole moment : 2.817
XLogP : -0.515 VDW volume : 242.623326
Molecular weight : 270.110338 HOMO-LUMO gap : 9.757000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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