1-deoxynojirimycin-1-sulfonic acid   

GtoPdb Ligand ID: 4744

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 2
Topological polar surface area 155.7
Molecular weight 243.04
XLogP -1.07
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OCC1NC(C(C(C1O)O)O)S(=O)(=O)O
Isomeric SMILES OC[C@H]1N[C@H]([C@@H]([C@H]([C@@H]1O)O)O)S(=O)(=O)O
InChI InChI=1S/C6H13NO7S/c8-1-2-3(9)4(10)5(11)6(7-2)15(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4+,5-,6+/m1/s1
InChI Key PLICPKOWHZITQE-DVKNGEFBSA-N
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Low affinity sodium-glucose cotransporter 1