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

Systemtic Name: [(2S,3S,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-ethoxy-oxolan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-ethoxy-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-ethoxy-3-oxolanyl] ester IUPAC Name: [(2S,3S,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-ethoxyoxolan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S,4R,5S)-4-azido-5-(diethoxyphosphorylmethyl)-2-ethoxy-tetrahydrofuran-3-yl] ester Formula: C18H28N3O8PS MolecularWeight: 477.468981

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(C(C(O1)CP(=O)(OCC)OCC)N=[N+]=[N-])OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N3O8PS/c1-5-25-18-17(29-31(23,24)14-10-8-13(4)9-11-14)16(20-21-19)15(28-18)12-30(22,26-6-2)27-7-3/h8-11,15-18H,5-7,12H2,1-4H3/t15-,16-,17+,18+/m1/s1