5-azanyl-1-[3,4,5-tris(oxidanyl)-6-phosphono-oxan-2-yl]imidazole-4-carboxylate

Systemtic Name: 5-azanyl-1-[3,4,5-tris(oxidanyl)-6-phosphono-oxan-2-yl]imidazole-4-carboxylate Openeye Name: 5-amino-1-(3,4,5-trihydroxy-6-phosphono-tetrahydropyran-2-yl)imidazole-4-carboxylate CAS Name: 5-amino-1-(3,4,5-trihydroxy-6-phosphono-2-oxanyl)-4-imidazolecarboxylate IUPAC Name: 5-amino-1-(3,4,5-trihydroxy-6-phosphonooxan-2-yl)imidazole-4-carboxylate Traditional Name: 5-amino-1-(3,4,5-trihydroxy-6-phosphono-tetrahydropyran-2-yl)imidazole-4-carboxylate Formula: C9H13N3O9P- MolecularWeight: 338.187981

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(N1C2C(C(C(C(O2)P(=O)(O)O)O)O)O)N)C(=O)[O-]

Isomeric SMILES

C1=NC(=C(N1C2C(C(C(C(O2)P(=O)(O)O)O)O)O)N)C(=O)[O-]

InChI

InChI=1S/C9H14N3O9P/c10-6-2(8(16)17)11-1-12(6)7-4(14)3(13)5(15)9(21-7)22(18,19)20/h1,3-5,7,9,13-15H,10H2,(H,16,17)(H2,18,19,20)/p-1