(2S,3S,4S,5R,6R)-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6R)-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(methoxymethyl)-2-(2-nitroimidazol-1-yl)ethoxy]tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitro-1-imidazolyl)propan-2-yl]oxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(methoxymethyl)-2-(2-nitroimidazol-1-yl)ethoxy]tetrahydropyran-2-carboxylic acid Formula: C13H19N3O10 MolecularWeight: 377.30406

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CN1C=CN=C1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O

Isomeric SMILES

COCC(CN1C=CN=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

InChI

InChI=1S/C13H19N3O10/c1-24-5-6(4-15-3-2-14-13(15)16(22)23)25-12-9(19)7(17)8(18)10(26-12)11(20)21/h2-3,6-10,12,17-19H,4-5H2,1H3,(H,20,21)/t6?,7-,8-,9+,10-,12+/m0/s1