2-Hydroxybutanoyl 3,5-Diacetamido-2,4,6-Triiodo-Benzoate compd. with (2R,3R,4R,5S )-6-Methylaminohexane-1,2,3,4,5-Pentol
[CAS# 19080-45-6]

Identification

• Name: 2-Hydroxybutanoyl 3,5-Diacetamido-2,4,6-Triiodo-Benzoate compd. with (2R,3R,4R,5S )-6-Methylaminohexane-1,2,3,4,5-Pentol
• Synonyms: 2-Hydroxybutanoyl 3,5-Diacetamido-2,4,6-Triiodo-Benzoate; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 3,5-Diacetamido-2,4,6-Triiodobenzoic Acid (2-Hydroxy-1-Oxobutyl) Ester; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 3,5-Diacetamido-2,4,6-Triiodo-Benzoic Acid 2-Hydroxybutanoyl Ester; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
• Molecular Formula: C₂₂H₃₂I₃N₃O₁₁
• Molecular Weight: 895.22
• CAS Registry Number: 19080-45-6
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.C(C(O)C(OC(=O)C1=C(I)C(=C(I)C(=C1I)NC(=O)C)NC(=O)C)=O)C
• InChI: 1S/C15H15I3N2O6.C7H17NO5/c1-4-7(23)14(24)26-15(25)8-9(16)12(19-5(2)21)11(18)13(10(8)17)20-6(3)22;1-8-2-4(10)6(12)7(13)5(11)3-9/h7,23H,4H2,1-3H3,(H,19,21)(H,20,22);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
• InChIKey: PIBRPEIQGVSVLG-WZTVWXICSA-N

Properties

• Boiling point: 731.9°C at 760 mmHg (Cal.)
• Flash point: 396.4°C (Cal.)