2-Hydroxypentanoyl 3,5-Diacetamido-2,4,6-Triiodo-Benzoate compd. with (2R,3R,4R,5 S)-6-Methylaminohexane-1,2,3,4,5-Pentol
[CAS# 19080-46-7]

Identification

• Name: 2-Hydroxypentanoyl 3,5-Diacetamido-2,4,6-Triiodo-Benzoate compd. with (2R,3R,4R,5 S)-6-Methylaminohexane-1,2,3,4,5-Pentol
• Synonyms: 2-Hydroxypentanoyl 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-Oxopentyl) Ester; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 3,5-Diacetamido-2,4,6-Triiodo-Benzoic Acid 2-Hydroxypentanoyl Ester; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
• Molecular Formula: C₂₃H₃₄I₃N₃O₁₁
• Molecular Weight: 909.25
• CAS Registry Number: 19080-46-7
• 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)CC
• InChI: 1S/C16H17I3N2O6.C7H17NO5/c1-4-5-8(24)15(25)27-16(26)9-10(17)13(20-6(2)22)12(19)14(11(9)18)21-7(3)23;1-8-2-4(10)6(12)7(13)5(11)3-9/h8,24H,4-5H2,1-3H3,(H,20,22)(H,21,23);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
• InChIKey: LXDCYHUKIVTYIC-WZTVWXICSA-N

Properties

• Boiling point: 734.9°C at 760 mmHg (Cal.)
• Flash point: 398.3°C (Cal.)