2-({3-Acetamido-5-[Acetyl(Methyl)Amino]-2,4,6-Triiodobenzoyl}Amino)-2-Deoxy-D-Glucitol
[CAS# 31112-66-0]

Identification

• Name: 2-({3-Acetamido-5-[Acetyl(Methyl)Amino]-2,4,6-Triiodobenzoyl}Amino)-2-Deoxy-D-Glucitol
• Synonyms: 2-({3-(acetylamino)-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-d-glucitol; Compound 18
• Molecular Formula: C₁₈H₂₄I₃N₃O₈
• Molecular Weight: 791.11
• CAS Registry Number: 31112-66-0
• SMILES: Ic1c(c(I)c(c(I)c1N(C(=O)C)C)C(=O)N[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)CO)NC(=O)C
• InChI: 1S/C18H24I3N3O8/c1-6(27)22-14-11(19)10(12(20)15(13(14)21)24(3)7(2)28)18(32)23-8(4-25)16(30)17(31)9(29)5-26/h8-9,16-17,25-26,29-31H,4-5H2,1-3H3,(H,22,27)(H,23,32)/t8-,9+,16+,17+/m0/s1
• InChIKey: NUOWFOQTUFBLMU-RFMXWLSYSA-N

Properties

• Density: 2.246g/cm³ (Cal.)
• Boiling point: 996.643°C at 760 mmHg (Cal.)
• Flash point: 556.55°C (Cal.)