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

Systemtic Name: sodium [(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenoxy-oxan-4-yl] sulfate Openeye Name: sodium [(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenoxy-tetrahydropyran-4-yl] sulfate CAS Name: sodium [(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenoxy-4-oxanyl] sulfate IUPAC Name: sodium [(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-yl] sulfate Traditional Name: sodium [(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-methylol-6-phenoxy-tetrahydropyran-4-yl] sulfate Formula: C14H18NNaO9S MolecularWeight: 399.34879

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2=CC=CC=C2)CO)O)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC2=CC=CC=C2)CO)O)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H19NO9S.Na/c1-8(17)15-11-13(24-25(19,20)21)12(18)10(7-16)23-14(11)22-9-5-3-2-4-6-9;/h2-6,10-14,16,18H,7H2,1H3,(H,15,17)(H,19,20,21);/q;+1/p-1/t10-,11-,12+,13-,14+;/m1./s1