6-[3-acetamido-2,5-bis(oxidanyl)-6-sulfooxy-oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 6-[3-acetamido-2,5-bis(oxidanyl)-6-sulfooxy-oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-(3-acetamido-2,5-dihydroxy-6-sulfooxy-tetrahydropyran-4-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[(3-acetamido-2,5-dihydroxy-6-sulfooxy-4-oxanyl)oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-(3-acetamido-2,5-dihydroxy-6-sulfooxyoxan-4-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 6-(3-acetamido-2,5-dihydroxy-6-sulfoxy-tetrahydropyran-4-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C13H21NO15S MolecularWeight: 463.36854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1O)OS(=O)(=O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O

Isomeric SMILES

CC(=O)NC1C(C(C(OC1O)OS(=O)(=O)O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O

InChI

InChI=1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)