[(2S,3S,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-oxidanyl-oxolan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-oxidanyl-oxolan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-hydroxy-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-hydroxy-3-oxolanyl] ester IUPAC Name: [(2S,3S,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-hydroxyoxolan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-hydroxy-tetrahydrofuran-3-yl] ester Formula: C16H24N3O8PS MolecularWeight: 449.415821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N3O8PS/c1-4-24-28(21,25-5-2)10-13-14(18-19-17)15(16(20)26-13)27-29(22,23)12-8-6-11(3)7-9-12/h6-9,13-16,20H,4-5,10H2,1-3H3/t13-,14-,15+,16+/m1/s1