[(2R,3S,4R,5R)-5-acetamido-6-oxidanyl-3,4-disulfooxy-oxan-2-yl]methyl hydrogen sulfate

Systemtic Name: [(2R,3S,4R,5R)-5-acetamido-6-oxidanyl-3,4-disulfooxy-oxan-2-yl]methyl hydrogen sulfate Openeye Name: [(2R,3S,4R,5R)-5-acetamido-6-hydroxy-3,4-disulfooxy-tetrahydropyran-2-yl]methyl hydrogen sulfate CAS Name: sulfuric acid [(2R,3S,4R,5R)-5-acetamido-6-hydroxy-3,4-disulfooxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-acetamido-6-hydroxy-3,4-disulfooxyoxan-2-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid [(2R,3S,4R,5R)-5-acetamido-6-hydroxy-3,4-disulfoxy-tetrahydropyran-2-yl]methyl ester Formula: C8H15NO15S3 MolecularWeight: 461.3974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C8H15NO15S3/c1-3(10)9-5-7(24-27(18,19)20)6(23-26(15,16)17)4(22-8(5)11)2-21-25(12,13)14/h4-8,11H,2H2,1H3,(H,9,10)(H,12,13,14)(H,15,16,17)(H,18,19,20)/t4-,5-,6+,7-,8?/m1/s1