D-mannose   Click here for help

GtoPdb Ligand ID: 4650

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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-QTVWNMPRSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Database Links Click here for help
CAS Registry No. 3458-28-4 (source: Scifinder)
ChEBI CHEBI:4208
ChEMBL Ligand CHEMBL469448
GtoPdb PubChem SID 178101367
PubChem CID 18950
Search Google for chemical match using the InChIKey WQZGKKKJIJFFOK-QTVWNMPRSA-N
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Search UniChem for chemicals with the same backbone WQZGKKKJIJFFOK
Wikipedia Mannose