N-[2,4,6-Triiodo-3,5-Bis[[(2R,3S,4R,5R)-2,4,5,6-Tetrahydroxy-1-Oxohexan-3-Yl]Oxy]Phenyl]Acetamide
[CAS# 75871-99-7]

Identification

• Name: N-[2,4,6-Triiodo-3,5-Bis[[(2R,3S,4R,5R)-2,4,5,6-Tetrahydroxy-1-Oxohexan-3-Yl]Oxy]Phenyl]Acetamide
• Synonyms: N-[2,4,6-Triiodo-3,5-Bis[(1S,2R,3R)-2,3,4-Trihydroxy-1-[(1R)-1-Hydroxy-2-Oxo-Ethyl]Butoxy]Phenyl]Acetamide; N-[2,4,6-Triiodo-3,5-Bis[(1S,2R,3R)-2,3,4-Trihydroxy-1-[(1R)-1-Hydroxy-2-Oxoethyl]Butoxy]Phenyl]Acetamide; N-[2,4,6-Triiodo-3,5-Bis[(1S,2R,3R)-2,3,4-Trihydroxy-1-[(1R)-1-Hydroxy-2-Keto-Ethyl]Butoxy]Phenyl]Acetamide
• Molecular Formula: C₂₀H₂₆I₃NO₁₃
• Molecular Weight: 869.14
• CAS Registry Number: 75871-99-7
• SMILES: [C@@H](C=O)(O)[C@@H](OC1=C(C(=C(C(=C1I)O[C@H]([C@H](C=O)O)[C@H](O)[C@H](O)CO)I)NC(=O)C)I)[C@H](O)[C@H](O)CO
• InChI: 1S/C20H26I3NO13/c1-6(29)24-14-11(21)19(36-17(9(32)4-27)15(34)7(30)2-25)13(23)20(12(14)22)37-18(10(33)5-28)16(35)8(31)3-26/h4-5,7-10,15-18,25-26,30-35H,2-3H2,1H3,(H,24,29)/t7-,8-,9+,10+,15-,16-,17-,18-/m1/s1
• InChIKey: UEJSYAZYLDOBLP-GSWDBMFZSA-N

Properties

• Density: 2.29g/cm³ (Cal.)
• Boiling point: 1082.02°C at 760 mmHg (Cal.)
• Flash point: 608.184°C (Cal.)