5-(Acetylamino)-3-(beta-D-Glucopyranosyloxy)-N-Methyl-2,4,6-Triiodobenzamide
[CAS# 58199-95-4]

Identification

• Name: 5-(Acetylamino)-3-(beta-D-Glucopyranosyloxy)-N-Methyl-2,4,6-Triiodobenzamide
• Synonyms: 3-Acetamido-2,4,6-Triiodo-N-Methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzamide; 3-Acetamido-2,4,6-Triiodo-N-Methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Benzamide; 3-Acetamido-2,4,6-Triiodo-N-Methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Benzamide
• Molecular Formula: C₁₆H₁₉I₃N₂O₈
• Molecular Weight: 748.05
• CAS Registry Number: 58199-95-4
• SMILES: [C@H]2(OC1=C(C(=C(C(=C1I)C(=O)NC)I)NC(=O)C)I)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO
• InChI: 1S/C16H19I3N2O8/c1-4(23)21-10-7(17)6(15(27)20-2)8(18)14(9(10)19)29-16-13(26)12(25)11(24)5(3-22)28-16/h5,11-13,16,22,24-26H,3H2,1-2H3,(H,20,27)(H,21,23)/t5-,11-,12+,13-,16+/m1/s1
• InChIKey: NGOYURKHFAWGEJ-TVKQLUOBSA-N

Properties

• Density: 2.366g/cm³ (Cal.)
• Boiling point: 724.445°C at 760 mmHg (Cal.)
• Flash point: 391.93°C (Cal.)