Molecular Weight (g/mol)

809.1

Molecular Formula

C18H26I3N3O9

InChI

InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

InChIKey

MIKKOBKEXMRYFQ-WZTVWXICSA-N

SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

IUPAC Name

3,5-diacetamido-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

Exact Mass (Da)

808.8803

Monoisotopic Mass (Da)

808.8803