[(2R,3S,4R,5R)-5-acetamido-3-[(3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)oxan-2-yl]methyl hydrogen sulfate

Systemtic Name: [(2R,3S,4R,5R)-5-acetamido-3-[(3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)oxan-2-yl]methyl hydrogen sulfate Openeye Name: [(2R,3S,4R,5R)-5-acetamido-3-[(3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4,6-dihydroxy-tetrahydropyran-2-yl]methyl hydrogen sulfate CAS Name: sulfuric acid [(2R,3S,4R,5R)-5-acetamido-3-[[(3R,4S,5S,6R)-4-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-3,5-dihydroxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-4,6-dihydroxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-acetamido-3-[(3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,6-dihydroxyoxan-2-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid [(2R,3S,4R,5R)-5-acetamido-3-[(3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-4,6-dihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C22H38N2O25S3 MolecularWeight: 826.73052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)COS(=O)(=O)O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)O)O)NC(=O)C)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](OC([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)NC(=O)C)O)COS(=O)(=O)O)COS(=O)(=O)O)O)COS(=O)(=O)O)O)O

InChI

InChI=1S/C22H38N2O25S3/c1-6(25)23-11-16(30)18(10(45-20(11)32)5-44-52(39,40)41)48-22-17(31)19(14(28)9(47-22)4-43-51(36,37)38)49-21-12(24-7(2)26)15(29)13(27)8(46-21)3-42-50(33,34)35/h8-22,27-32H,3-5H2,1-2H3,(H,23,25)(H,24,26)(H,33,34,35)(H,36,37,38)(H,39,40,41)/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19+,20?,21+,22?/m1/s1