5-aminocarbonyl-1,3-bis[(2R,3R,4R,5R)-3,4,5-triacetyloxyoxan-2-yl]imidazol-3-ium-4-olate

Systemtic Name: 5-aminocarbonyl-1,3-bis[(2R,3R,4R,5R)-3,4,5-triacetyloxyoxan-2-yl]imidazol-3-ium-4-olate Openeye Name: 5-carbamoyl-1,3-bis[(2R,3R,4R,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]imidazol-3-ium-4-olate CAS Name: 5-carbamoyl-1,3-bis[(2R,3R,4R,5R)-3,4,5-triacetyloxy-2-oxanyl]-4-imidazol-3-iumolate IUPAC Name: 5-carbamoyl-1,3-bis[(2R,3R,4R,5R)-3,4,5-triacetyloxyoxan-2-yl]imidazol-3-ium-4-olate Traditional Name: 5-carbamoyl-1,3-bis[(2R,3R,4R,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]imidazol-3-ium-4-olate Formula: C26H33N3O16 MolecularWeight: 643.55072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=[N+](C(=C2C(=O)N)[O-])C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)N2C=[N+](C(=C2C(=O)N)[O-])[C@H]3[C@@H]([C@@H]([C@@H](CO3)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H33N3O16/c1-10(30)40-16-7-38-25(21(44-14(5)34)19(16)42-12(3)32)28-9-29(24(37)18(28)23(27)36)26-22(45-15(6)35)20(43-13(4)33)17(8-39-26)41-11(2)31/h9,16-17,19-22,25-26H,7-8H2,1-6H3,(H2-,27,36,37)/t16-,17-,19-,20-,21-,22-,25-,26-/m1/s1