2-(hydroxymethyl)-6-(1H-imidazol-2-ylsulfanyl)oxane-3,4,5-triol hydrochloride

Systemtic Name: 2-(hydroxymethyl)-6-(1H-imidazol-2-ylsulfanyl)oxane-3,4,5-triol hydrochloride Openeye Name: 2-(hydroxymethyl)-6-(1H-imidazol-2-ylsulfanyl)tetrahydropyran-3,4,5-triol hydrochloride CAS Name: 2-(hydroxymethyl)-6-(1H-imidazol-2-ylthio)oxane-3,4,5-triol hydrochloride IUPAC Name: 2-(hydroxymethyl)-6-(1H-imidazol-2-ylsulfanyl)oxane-3,4,5-triol hydrochloride Traditional Name: 2-(1H-imidazol-2-ylthio)-6-methylol-tetrahydropyran-3,4,5-triol hydrochloride Formula: C9H15ClN2O5S MolecularWeight: 298.7438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N1)SC2C(C(C(C(O2)CO)O)O)O.Cl

Isomeric SMILES

C1=CN=C(N1)SC2C(C(C(C(O2)CO)O)O)O.Cl

InChI

InChI=1S/C9H14N2O5S.ClH/c12-3-4-5(13)6(14)7(15)8(16-4)17-9-10-1-2-11-9;/h1-2,4-8,12-15H,3H2,(H,10,11);1H