D-glucose   Click here for help

GtoPdb Ligand ID: 4536

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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 1
Topological polar surface area 110.38
Molecular weight 180.06
XLogP -1.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC1OC(O)C(C(C1O)O)O
Isomeric SMILES OC[C@H]1OC(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 WQZGKKKJIJFFOK-GASJEMHNSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Database Links Click here for help
CAS Registry No. 50-99-7 (source: Scifinder)
ChEBI CHEBI:4167
ChEMBL Ligand CHEMBL1222250
GtoPdb PubChem SID 178101257
PubChem CID 5793
Search Google for chemical match using the InChIKey WQZGKKKJIJFFOK-GASJEMHNSA-N
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Search UniChem for chemicals with the same backbone WQZGKKKJIJFFOK
Wikipedia Glucose

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Tocris
D-(+)-Glucose
Cat. No. 5504