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

Systemtic Name: (2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4-bis(oxidanyl)-5-sulfooxy-oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxymethyl)tetrahydropyran-4-yl]oxy-3,4-dihydroxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-6-[[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxymethyl)-4-oxanyl]oxy]-3,4-dihydroxy-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfoxymethyl)tetrahydropyran-4-yl]oxy-3,4-dihydroxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C14H23NO18S2 MolecularWeight: 557.45832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C14H23NO18S2/c1-3(16)15-5-9(6(17)4(30-13(5)22)2-29-34(23,24)25)31-14-11(33-35(26,27)28)8(19)7(18)10(32-14)12(20)21/h4-11,13-14,17-19,22H,2H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)(H,26,27,28)/t4-,5-,6+,7+,8+,9-,10+,11-,13?,14-/m1/s1