1-[3,4-bis(oxidanyl)-5-(phosphonatooxymethyl)oxolan-2-yl]pyridin-1-ium-2,3-dicarboxylate

Systemtic Name: 1-[3,4-bis(oxidanyl)-5-(phosphonatooxymethyl)oxolan-2-yl]pyridin-1-ium-2,3-dicarboxylate Openeye Name: 1-[3,4-dihydroxy-5-(phosphonatooxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-2,3-dicarboxylate CAS Name: 1-[3,4-dihydroxy-5-(phosphonatooxymethyl)-2-oxolanyl]pyridin-1-ium-2,3-dicarboxylate IUPAC Name: 1-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]pyridin-1-ium-2,3-dicarboxylate Traditional Name: 1-[3,4-dihydroxy-5-(phosphatomethyl)tetrahydrofuran-2-yl]pyridin-1-ium-2,3-dicarboxylate Formula: C12H11NO11P-3 MolecularWeight: 376.189601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([N+](=C1)C2C(C(C(O2)COP(=O)([O-])[O-])O)O)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=C([N+](=C1)C2C(C(C(O2)COP(=O)([O-])[O-])O)O)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14NO11P/c14-8-6(4-23-25(20,21)22)24-10(9(8)15)13-3-1-2-5(11(16)17)7(13)12(18)19/h1-3,6,8-10,14-15H,4H2,(H3-,16,17,18,19,20,21,22)/p-3