methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-6-[(1S,2S)-1-acetyloxy-3-iodanyl-2-methylsulfanylcarbonyloxy-propyl]-2-methoxy-oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-6-[(1S,2S)-1-acetyloxy-3-iodanyl-2-methylsulfanylcarbonyloxy-propyl]-2-methoxy-oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetoxy-6-[(1S,2S)-1-acetoxy-3-iodo-2-methylsulfanylcarbonyloxy-propyl]-2-methoxy-tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-6-[(1S,2S)-1-acetyloxy-3-iodo-2-[(methylthio)-oxomethoxy]propyl]-2-methoxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-6-[(1S,2S)-1-acetyloxy-3-iodo-2-methylsulfanylcarbonyloxypropyl]-2-methoxyoxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-4-acetoxy-6-[(1S,2S)-1-acetoxy-3-iodo-2-(methylthio)carbonyloxy-propyl]-2-methoxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C19H28INO11S MolecularWeight: 605.39519

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CI)OC(=O)SC)OC(=O)C)(C(=O)OC)OC)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CI)OC(=O)SC)OC(=O)C)(C(=O)OC)OC)OC(=O)C

InChI

InChI=1S/C19H28INO11S/c1-9(22)21-14-12(29-10(2)23)7-19(28-5,17(25)27-4)32-16(14)15(30-11(3)24)13(8-20)31-18(26)33-6/h12-16H,7-8H2,1-6H3,(H,21,22)/t12-,13+,14+,15+,16+,19-/m0/s1