(2R,3R,4R,5S)-5-methoxy-2-methyl-4-[(2-sulfophenyl)sulfonylamino]oxolane-3-carboxylic acid

Systemtic Name: (2R,3R,4R,5S)-5-methoxy-2-methyl-4-[(2-sulfophenyl)sulfonylamino]oxolane-3-carboxylic acid Openeye Name: (2R,3R,4R,5S)-5-methoxy-2-methyl-4-[(2-sulfophenyl)sulfonylamino]tetrahydrofuran-3-carboxylic acid CAS Name: (2R,3R,4R,5S)-5-methoxy-2-methyl-4-[(2-sulfophenyl)sulfonylamino]-3-oxolanecarboxylic acid IUPAC Name: (2R,3R,4R,5S)-5-methoxy-2-methyl-4-[(2-sulfophenyl)sulfonylamino]oxolane-3-carboxylic acid Traditional Name: (2R,3R,4R,5S)-5-methoxy-2-methyl-4-[(2-sulfophenyl)sulfonylamino]tetrahydrofuran-3-carboxylic acid Formula: C13H17NO9S2 MolecularWeight: 395.40538

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)OC)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)O)C(=O)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@H]([C@H](O1)OC)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C13H17NO9S2/c1-7-10(12(15)16)11(13(22-2)23-7)14-24(17,18)8-5-3-4-6-9(8)25(19,20)21/h3-7,10-11,13-14H,1-2H3,(H,15,16)(H,19,20,21)/t7-,10+,11-,13+/m1/s1