D-fructose   

GtoPdb Ligand ID: 4654

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 5
Topological polar surface area 118.22
Molecular weight 180.06
XLogP -3.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC(C(C(C(=O)CO)O)O)O
Isomeric SMILES OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O
InChI InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
InChI Key BJHIKXHVCXFQLS-UYFOZJQFSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
Database Links
CAS Registry No. 57-48-7 (source: Scifinder)
ChEBI CHEBI:15824
GtoPdb PubChem SID 178101370
PubChem CID 5984
RCSB PDB Ligand FUD
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