sodium [(2R,3R,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-6-[(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-prop-2-enoxy-oxan-4-yl]oxy-3-oxidanyl-oxan-4-yl] sulfate

Systemtic Name: sodium [(2R,3R,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-6-[(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-prop-2-enoxy-oxan-4-yl]oxy-3-oxidanyl-oxan-4-yl] sulfate Openeye Name: sodium [(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-2-allyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] sulfate CAS Name: sodium [(2S,3R,4R,5R,6R)-3-acetamido-2-[[(2S,3R,4R,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxy-4-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-4-oxanyl] sulfate IUPAC Name: sodium [(2S,3R,4R,5R,6R)-3-acetamido-2-[(2S,3R,4R,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] sulfate Traditional Name: sodium [(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-2-allyloxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl] sulfate Formula: C17H28NNaO14S MolecularWeight: 525.45729

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)OCC=C)CO)O)CO)O)OS(=O)(=O)[O-].[Na+]

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](O[C@H]([C@H]2O)OCC=C)CO)O)CO)O)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H29NO14S.Na/c1-3-4-28-17-13(24)15(12(23)9(6-20)30-17)31-16-10(18-7(2)21)14(32-33(25,26)27)11(22)8(5-19)29-16;/h3,8-17,19-20,22-24H,1,4-6H2,2H3,(H,18,21)(H,25,26,27);/q;+1/p-1/t8-,9+,10-,11-,12-,13+,14-,15-,16+,17-;/m1./s1