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

Systemtic Name: sodium [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-methoxy-4-prop-2-enoxy-5-sulfooxy-oxan-3-yl] hydrogen sulfate Openeye Name: sodium [(2R,3R,4S,5S,6S)-4-allyloxy-2-(azidomethyl)-6-methoxy-5-sulfooxy-tetrahydropyran-3-yl] hydrogen sulfate CAS Name: sodium sulfuric acid [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-methoxy-4-prop-2-enoxy-5-sulfooxy-3-oxanyl] ester IUPAC Name: sodium [(2R,3R,4S,5S,6S)-2-(azidomethyl)-6-methoxy-4-prop-2-enoxy-5-sulfooxyoxan-3-yl] hydrogen sulfate Traditional Name: sodium sulfuric acid [(2R,3R,4S,5S,6S)-4-allyloxy-2-(azidomethyl)-6-methoxy-5-sulfoxy-tetrahydropyran-3-yl] ester Formula: C10H17N3NaO11S2+ MolecularWeight: 442.37525

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CN=[N+]=[N-])OS(=O)(=O)O)OCC=C)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CN=[N+]=[N-])OS(=O)(=O)O)OCC=C)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C10H17N3O11S2.Na/c1-3-4-21-8-7(23-25(14,15)16)6(5-12-13-11)22-10(20-2)9(8)24-26(17,18)19;/h3,6-10H,1,4-5H2,2H3,(H,14,15,16)(H,17,18,19);/q;+1/t6-,7-,8+,9+,10+;/m1./s1