(2R,3R,4R,5R,6R)-5-acetamido-3-bromanyl-2,4-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2R,3R,4R,5R,6R)-5-acetamido-3-bromanyl-2,4-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2R,3R,4R,5R,6R)-5-acetamido-3-bromo-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2R,3R,4R,5R,6R)-5-acetamido-3-bromo-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2R,3R,4R,5R,6R)-5-acetamido-3-bromo-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2R,3R,4R,5R,6R)-5-acetamido-3-bromo-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C11H18BrNO9 MolecularWeight: 388.16592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)O)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C11H18BrNO9/c1-3(15)13-5-7(18)9(12)11(21,10(19)20)22-8(5)6(17)4(16)2-14/h4-9,14,16-18,21H,2H2,1H3,(H,13,15)(H,19,20)/t4-,5-,6-,7-,8-,9-,11+/m1/s1