1-[(2R,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[(2R,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[(2R,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[(2R,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]pyridin-1-ium-3-carboxylic acid Formula: C11H14NO6+ MolecularWeight: 256.23196

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)[N+]2=CC=CC(=C2)C(=O)O)O)O)O

Isomeric SMILES

C1[C@@H]([C@@H]([C@H]([C@@H](O1)[N+]2=CC=CC(=C2)C(=O)O)O)O)O

InChI

InChI=1S/C11H13NO6/c13-7-5-18-10(9(15)8(7)14)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/p+1/t7-,8-,9+,10+/m0/s1