(2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol compd. with 2-[2,4,6-Triiodo-3 ,5-Bis(Methylcarbamoyl)Phenoxy]Pentanoic Acid
[CAS# 19080-48-9]

Identification

• Name: (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol compd. with 2-[2,4,6-Triiodo-3 ,5-Bis(Methylcarbamoyl)Phenoxy]Pentanoic Acid
• Synonyms: (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 2-[2,4,6-Triiodo-3,5-Bis(Methylcarbamoyl)Phenoxy]Valeric Acid; Valeric Acid, 2-(3,5-Bis(Methylcarbamoyl)-2,4,6-Triiodophenoxy)-, Compd. With 1-Deoxy-1-(Methylamino)-D-Glucitol (1:1)
• Molecular Formula: C₂₂H₃₄I₃N₃O₁₀
• Molecular Weight: 881.24
• CAS Registry Number: 19080-48-9
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.C(C(OC1=C(I)C(=C(I)C(=C1I)C(=O)NC)C(=O)NC)C(=O)O)CC
• InChI: 1S/C15H17I3N2O5.C7H17NO5/c1-4-5-6(15(23)24)25-12-10(17)7(13(21)19-2)9(16)8(11(12)18)14(22)20-3;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: BKSDYWNIRUWZLN-WZTVWXICSA-N

Properties

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