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

Systemtic Name: 4-azanyl-2-[3,4,5-tris(oxidanyl)-6-phosphono-oxan-2-yl]-1H-imidazole-5-carboxylic acid Openeye Name: 4-amino-2-(3,4,5-trihydroxy-6-phosphono-tetrahydropyran-2-yl)-1H-imidazole-5-carboxylic acid CAS Name: 4-amino-2-(3,4,5-trihydroxy-6-phosphono-2-oxanyl)-1H-imidazole-5-carboxylic acid IUPAC Name: 4-amino-2-(3,4,5-trihydroxy-6-phosphonooxan-2-yl)-1H-imidazole-5-carboxylic acid Traditional Name: 4-amino-2-(3,4,5-trihydroxy-6-phosphono-tetrahydropyran-2-yl)-1H-imidazole-5-carboxylic acid Formula: C9H14N3O9P MolecularWeight: 339.195921

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(C(OC(C1O)P(=O)(O)O)C2=NC(=C(N2)C(=O)O)N)O)O

Isomeric SMILES

C1(C(C(OC(C1O)P(=O)(O)O)C2=NC(=C(N2)C(=O)O)N)O)O

InChI

InChI=1S/C9H14N3O9P/c10-6-1(8(16)17)11-7(12-6)5-3(14)2(13)4(15)9(21-5)22(18,19)20/h2-5,9,13-15H,10H2,(H,11,12)(H,16,17)(H2,18,19,20)