D-xylose   Click here for help

GtoPdb Ligand ID: 4724

PDB Ligand
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 97.99
Molecular weight 150.05
XLogP -2.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC(C(C(C=O)O)O)O
Isomeric SMILES OC[C@H]([C@@H]([C@H](C=O)O)O)O
InChI InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
InChI Key PYMYPHUHKUWMLA-VPENINKCSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
Database Links Click here for help
CAS Registry No. 58-86-6 (source: Scifinder)
ChEBI CHEBI:15936
GtoPdb PubChem SID 178101435
PubChem CID 644160
RCSB PDB Ligand XLS
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