(2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol compd. with 2-[2,4,6-Triiodo-3 ,5-Bis(Methylcarbamoyl)Phenoxy]Octanoic Acid
[CAS# 19080-51-4]

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]Octanoic Acid
• Synonyms: (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 2-[2,4,6-Triiodo-3,5-Bis(Methylcarbamoyl)Phenoxy]Caprylic Acid; Octanoic Acid, 2-(3,5-Bis(Methylcarbamoyl)-2,4,6-Triiodophenoxy)-, Compd. With 1-Deoxy-1-(Methylamino)-D-Glucitol (1:1)
• Molecular Formula: C₂₅H₄₀I₃N₃O₁₀
• Molecular Weight: 923.32
• CAS Registry Number: 19080-51-4
• 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)CCCCC
• InChI: 1S/C18H23I3N2O5.C7H17NO5/c1-4-5-6-7-8-9(18(26)27)28-15-13(20)10(16(24)22-2)12(19)11(14(15)21)17(25)23-3;1-8-2-4(10)6(12)7(13)5(11)3-9/h9H,4-8H2,1-3H3,(H,22,24)(H,23,25)(H,26,27);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
• InChIKey: GWLJHVFROXQIHR-WZTVWXICSA-N

Properties

• Boiling point: 570.8°C at 760 mmHg (Cal.)
• Flash point: 299°C (Cal.)