sodium; 3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

Systemtic Name: sodium; 3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Openeye Name: sodium; 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol CAS Name: sodium; 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol IUPAC Name: sodium; 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Traditional Name: sodium; 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Formula: C29H33I6N5NaO13- MolecularWeight: 1444.01461

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.CNCC(C(C(C(CO)O)O)O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/2C11H9I3N2O4.C7H17NO5.Na/c2*1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9;/h2*1-2H3,(H,15,18)(H,16,17)(H,19,20);4-13H,2-3H2,1H3;/q;;;+1/p-2/t;;4-,5+,6+,7+;/m..0./s1