N-ethyl-1-deoxynojirimycin   Click here for help

GtoPdb Ligand ID: 4586

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 84.16
Molecular weight 191.12
XLogP -1.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN1CC(O)C(C(C1CO)O)O
Isomeric SMILES CCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O
InChI InChI=1S/C8H17NO4/c1-2-9-3-6(11)8(13)7(12)5(9)4-10/h5-8,10-13H,2-4H2,1H3/t5-,6+,7-,8-/m1/s1
InChI Key DAYOICKCVBMUPS-ULAWRXDQSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R,3R,4R,5S)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9686837
Reactome Reaction Reactome logo R-HSA-9686790
Other databases
GtoPdb PubChem SID 178101307
PubChem CID 451512
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