[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-4-methylsulfonyl-N-sulfooxy-butanimidothioate

Systemtic Name: [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-4-methylsulfonyl-N-sulfooxy-butanimidothioate Openeye Name: [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-4-methylsulfonyl-N-sulfooxy-butanimidothioate CAS Name: (1E)-4-methylsulfonyl-N-sulfooxybutanimidothioic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfonyl-N-sulfooxybutanimidothioate Traditional Name: (1E)-4-mesyl-N-sulfoxy-thiobutyrimidic acid (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C11H21NO11S3 MolecularWeight: 439.47954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

CS(=O)(=O)CCC/C(=N\OS(=O)(=O)O)/SC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/b12-7+