5-(2,3-Dihydroxypropanoyl-(2,3-Dihydroxypropyl)Amino)-N-(2-Hydroxyethyl)-N'-(Hydroxymethyl)-2,4,6-Triiodobenzene-1,3-Dicarboxamide
[CAS# 136880-97-2]

Identification

• Name: 5-(2,3-Dihydroxypropanoyl-(2,3-Dihydroxypropyl)Amino)-N-(2-Hydroxyethyl)-N'-(Hydroxymethyl)-2,4,6-Triiodobenzene-1,3-Dicarboxamide
• Synonyms: 5-(2,3-Dihydroxypropanoyl-(2,3-Dihydroxypropyl)Amino)-N-(2-Hydroxyethyl)-N'-(Hydroxymethyl)-2,4,6-Triiodo-Benzene-1,3-Dicarboxamide; 5-[(2,3-Dihydroxy-1-Oxopropyl)-(2,3-Dihydroxypropyl)Amino]-N-(2-Hydroxyethyl)-N'-(Hydroxymethyl)-2,4,6-Triiodobenzene-1,3-Dicarboxamide; 5-(Glyceroyl-Glyceryl-Amino)-N-(2-Hydroxyethyl)-2,4,6-Triiodo-N'-Methylol-Isophthalamide
• Molecular Formula: C₁₇H₂₂I₃N₃O₉
• Molecular Weight: 793.09
• CAS Registry Number: 136880-97-2
• SMILES: C(O)CNC(=O)C1=C(C(=C(C(=C1I)N(CC(O)CO)C(=O)C(O)CO)I)C(=O)NCO)I
• InChI: 1S/C17H22I3N3O9/c18-11-9(15(30)21-1-2-24)12(19)14(13(20)10(11)16(31)22-6-27)23(3-7(28)4-25)17(32)8(29)5-26/h7-8,24-29H,1-6H2,(H,21,30)(H,22,31)
• InChIKey: JYGODJAOUUSBPH-UHFFFAOYSA-N

Properties

• Density: 2.334g/cm³ (Cal.)
• Boiling point: 843.461°C at 760 mmHg (Cal.)
• Flash point: 463.909°C (Cal.)