5-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]imidazole-4-carboxylate; iron; tetrahydrate

Systemtic Name: 5-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]imidazole-4-carboxylate; iron; tetrahydrate Openeye Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboxylate; iron; tetrahydrate CAS Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-imidazolecarboxylate; iron; tetrahydrate IUPAC Name: 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxylate; iron; tetrahydrate Traditional Name: 5-amino-1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)imidazole-4-carboxylate; iron; tetrahydrate Formula: C18H32Fe3N6O16-2 MolecularWeight: 756.01228

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)[O-].C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)[O-].O.O.O.O.[Fe].[Fe].[Fe]

Isomeric SMILES

C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)[O-].C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)[O-].O.O.O.O.[Fe].[Fe].[Fe]

InChI

InChI=1S/2C9H13N3O6.3Fe.4H2O/c2*10-7-4(9(16)17)11-2-12(7)8-6(15)5(14)3(1-13)18-8;;;;;;;/h2*2-3,5-6,8,13-15H,1,10H2,(H,16,17);;;;4*1H2/p-2