3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol; pyridine-3-carboxylic acid

Systemtic Name: 3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol; pyridine-3-carboxylic acid Openeye Name: 3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol; nicotinic acid CAS Name: 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; 3-pyridinecarboxylic acid IUPAC Name: 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; pyridine-3-carboxylic acid Traditional Name: 3-amino-6-methylol-tetrahydropyran-2,4,5-triol; nicotinic acid Formula: C12H18N2O7 MolecularWeight: 302.28052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)O.C(C1C(C(C(C(O1)O)N)O)O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)O.C(C1C(C(C(C(O1)O)N)O)O)O

InChI

InChI=1S/C6H13NO5.C6H5NO2/c7-3-5(10)4(9)2(1-8)12-6(3)11;8-6(9)5-2-1-3-7-4-5/h2-6,8-11H,1,7H2;1-4H,(H,8,9)