2-(2-azanylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol hydrate

Systemtic Name: 2-(2-azanylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol hydrate Openeye Name: 2-(2-aminophenoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol hydrate CAS Name: 2-(2-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol hydrate IUPAC Name: 2-(2-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol hydrate Traditional Name: 2-(2-aminophenoxy)-6-methylol-tetrahydropyran-3,4,5-triol hydrate Formula: C12H19NO7 MolecularWeight: 289.28176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)OC2C(C(C(C(O2)CO)O)O)O.O

Isomeric SMILES

C1=CC=C(C(=C1)N)OC2C(C(C(C(O2)CO)O)O)O.O

InChI

InChI=1S/C12H17NO6.H2O/c13-6-3-1-2-4-7(6)18-12-11(17)10(16)9(15)8(5-14)19-12;/h1-4,8-12,14-17H,5,13H2;1H2