sodium [(2R,3R,4R,5S,6S)-2-(azidomethyl)-5-oxidanyl-3-phenylmethoxy-6-prop-2-enoxy-oxan-4-yl] sulfate

Systemtic Name: sodium [(2R,3R,4R,5S,6S)-2-(azidomethyl)-5-oxidanyl-3-phenylmethoxy-6-prop-2-enoxy-oxan-4-yl] sulfate Openeye Name: sodium [(2S,3S,4R,5R,6R)-2-allyloxy-6-(azidomethyl)-5-benzyloxy-3-hydroxy-tetrahydropyran-4-yl] sulfate CAS Name: sodium [(2R,3R,4R,5S,6S)-2-(azidomethyl)-5-hydroxy-3-phenylmethoxy-6-prop-2-enoxy-4-oxanyl] sulfate IUPAC Name: sodium [(2R,3R,4R,5S,6S)-2-(azidomethyl)-5-hydroxy-3-phenylmethoxy-6-prop-2-enoxyoxan-4-yl] sulfate Traditional Name: sodium [(2S,3S,4R,5R,6R)-2-allyloxy-6-(azidomethyl)-5-benzoxy-3-hydroxy-tetrahydropyran-4-yl] sulfate Formula: C16H20N3NaO8S MolecularWeight: 437.40007

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1C(C(C(C(O1)CN=[N+]=[N-])OCC2=CC=CC=C2)OS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CN=[N+]=[N-])OCC2=CC=CC=C2)OS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C16H21N3O8S.Na/c1-2-8-24-16-13(20)15(27-28(21,22)23)14(12(26-16)9-18-19-17)25-10-11-6-4-3-5-7-11;/h2-7,12-16,20H,1,8-10H2,(H,21,22,23);/q;+1/p-1/t12-,13+,14-,15-,16+;/m1./s1