sodium [(2S,3R,4R,5R,6S)-2-azido-6-methyl-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] sulfate

Systemtic Name: sodium [(2S,3R,4R,5R,6S)-2-azido-6-methyl-4-oxidanyl-5-(phenylcarbonyloxy)oxan-3-yl] sulfate Openeye Name: sodium [(2S,3R,4R,5R,6S)-2-azido-5-benzoyloxy-4-hydroxy-6-methyl-tetrahydropyran-3-yl] sulfate CAS Name: sodium [(2S,3R,4R,5R,6S)-2-azido-5-benzoyloxy-4-hydroxy-6-methyl-3-oxanyl] sulfate IUPAC Name: sodium [(2S,3R,4R,5R,6S)-2-azido-5-benzoyloxy-4-hydroxy-6-methyloxan-3-yl] sulfate Traditional Name: sodium [(2S,3R,4R,5R,6S)-2-azido-5-benzoyloxy-4-hydroxy-6-methyl-tetrahydropyran-3-yl] sulfate Formula: C13H14N3NaO8S MolecularWeight: 395.32033

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)N=[N+]=[N-])OS(=O)(=O)[O-])O)OC(=O)C2=CC=CC=C2.[Na+]

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)N=[N+]=[N-])OS(=O)(=O)[O-])O)OC(=O)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C13H15N3O8S.Na/c1-7-10(23-13(18)8-5-3-2-4-6-8)9(17)11(24-25(19,20)21)12(22-7)15-16-14;/h2-7,9-12,17H,1H3,(H,19,20,21);/q;+1/p-1/t7-,9+,10-,11+,12-;/m0./s1