methyl (3S,4S,5S,6R)-3,4,5-triacetyloxy-6-bromanyl-oxane-2-carboxylate

Systemtic Name: methyl (3S,4S,5S,6R)-3,4,5-triacetyloxy-6-bromanyl-oxane-2-carboxylate Openeye Name: methyl (3S,4S,5S,6R)-3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-carboxylate CAS Name: (3S,4S,5S,6R)-3,4,5-triacetyloxy-6-bromo-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S,5S,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate Traditional Name: (3S,4S,5S,6R)-3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-carboxylic acid methyl ester Formula: C13H17BrO9 MolecularWeight: 397.17268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)Br)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]([C@H](OC([C@H]1OC(=O)C)C(=O)OC)Br)OC(=O)C

InChI

InChI=1S/C13H17BrO9/c1-5(15)20-8-9(21-6(2)16)11(13(18)19-4)23-12(14)10(8)22-7(3)17/h8-12H,1-4H3/t8-,9-,10-,11?,12-/m0/s1