D-galactose   

GtoPdb Ligand ID: 4646

2D Structure
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Physico-chemical Properties
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
Canonical SMILES OCC1OC(O)C(C(C1O)O)O
Isomeric 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 WQZGKKKJIJFFOK-PHYPRBDBSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Database Links
CAS Registry No. 3646-73-9 (source: Scifinder)
ChEBI CHEBI:28061
ChEMBL Ligand CHEMBL1233058
DrugCentral Ligand 1271
GtoPdb PubChem SID 178101363
PubChem CID 439357
RCSB PDB Ligand GLA
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Search UniChem for chemicals with the same backbone WQZGKKKJIJFFOK
Wikipedia Galactose