2-[3,5-Bis(Ethylcarbamoyl)-2,4,6-Triiodo-Phenoxy]Propanoic Acid compd. with (2R,3 R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
[CAS# 19080-53-6]

Identification

• Name: 2-[3,5-Bis(Ethylcarbamoyl)-2,4,6-Triiodo-Phenoxy]Propanoic Acid compd. with (2R,3 R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
• Synonyms: 2-[3,5-Bis(Ethylcarbamoyl)-2,4,6-Triiodo-Phenoxy]Propanoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 2-[3,5-Bis(Ethylcarbamoyl)-2,4,6-Triiodo-Phenoxy]Propionic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; Propionic Acid, 2-(3,5-Bis(Ethylcarbamoyl)-2,4,6-Triiodophenoxy)-, Compd. With 1-Deoxy-1-(Methylamino)-D-Glucitol (1:1)
• Molecular Formula: C₂₂H₃₄I₃N₃O₁₀
• Molecular Weight: 881.24
• CAS Registry Number: 19080-53-6
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.C(NC(=O)C1=C(I)C(=C(I)C(=C1I)OC(C(=O)O)C)C(=O)NCC)C
• InChI: 1S/C15H17I3N2O5.C7H17NO5/c1-4-19-13(21)7-9(16)8(14(22)20-5-2)11(18)12(10(7)17)25-6(3)15(23)24;1-8-2-4(10)6(12)7(13)5(11)3-9/h6H,4-5H2,1-3H3,(H,19,21)(H,20,22)(H,23,24);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
• InChIKey: RNZGAAKUQHFAOK-WZTVWXICSA-N

Properties

• Boiling point: 539.6°C at 760 mmHg (Cal.)
• Flash point: 280.1°C (Cal.)