[(2R,3S,5R,6S)-5-azido-2-methyl-6-phenylsulfanyl-oxan-3-yl] methanesulfonate

Systemtic Name: [(2R,3S,5R,6S)-5-azido-2-methyl-6-phenylsulfanyl-oxan-3-yl] methanesulfonate Openeye Name: [(2R,3S,5R,6S)-5-azido-2-methyl-6-phenylsulfanyl-tetrahydropyran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [(2R,3S,5R,6S)-5-azido-2-methyl-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2R,3S,5R,6S)-5-azido-2-methyl-6-phenylsulfanyloxan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2R,3S,5R,6S)-5-azido-2-methyl-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C13H17N3O4S2 MolecularWeight: 343.42178

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(C(O1)SC2=CC=CC=C2)N=[N+]=[N-])OS(=O)(=O)C

Isomeric SMILES

C[C@@H]1[C@H](C[C@H]([C@@H](O1)SC2=CC=CC=C2)N=[N+]=[N-])OS(=O)(=O)C

InChI

InChI=1S/C13H17N3O4S2/c1-9-12(20-22(2,17)18)8-11(15-16-14)13(19-9)21-10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3/t9-,11-,12+,13+/m1/s1