(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2S,3S,4R,5R,6R)-2-carboxy-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-2-(hydroxymethyl)-4-oxidanyl-5-(sulfoamino)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2S,3S,4R,5R,6R)-2-carboxy-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-2-(hydroxymethyl)-4-oxidanyl-5-(sulfoamino)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2S,3S,4R,5R,6R)-2-carboxy-4,5-dihydroxy-6-methoxy-tetrahydropyran-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2R,3S,4S,5R,6R)-6-[[(2R,3S,4R,5R,6R)-6-[[(2S,3S,4R,5R,6R)-2-carboxy-4,5-dihydroxy-6-methoxy-3-oxanyl]oxy]-4-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2S,3S,4R,5R,6R)-2-carboxy-4,5-dihydroxy-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2S,3S,4R,5R,6R)-2-carboxy-4,5-dihydroxy-6-methoxy-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methylol-5-(sulfoamino)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C19H31NO20S MolecularWeight: 625.50914

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)C(=O)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)NS(=O)(=O)O)O)O

Isomeric SMILES

CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)O)O)O)O)O)NS(=O)(=O)O)O)O

InChI

InChI=1S/C19H31NO20S/c1-35-18-10(27)8(25)12(14(40-18)16(30)31)38-17-4(20-41(32,33)34)5(22)11(3(2-21)36-17)37-19-9(26)6(23)7(24)13(39-19)15(28)29/h3-14,17-27H,2H2,1H3,(H,28,29)(H,30,31)(H,32,33,34)/t3-,4-,5-,6+,7+,8-,9-,10-,11-,12+,13-,14+,17-,18-,19-/m1/s1