3-[[2-[2-[2-[2-[(3-Carboxy-2,4,6-Triiodophenyl)Amino]-2-Oxoethoxy]Ethoxy]Ethoxy]Acetyl]Amino]-2,4,6-Triiodobenzoic Acid, (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
[CAS# 72704-51-9]

Identification

• Name: 3-[[2-[2-[2-[2-[(3-Carboxy-2,4,6-Triiodophenyl)Amino]-2-Oxoethoxy]Ethoxy]Ethoxy]Acetyl]Amino]-2,4,6-Triiodobenzoic Acid, (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
• Synonyms: 3-[[2-[2-[2-[2-[(3-Carboxy-2,4,6-Triiodo-Phenyl)Amino]-2-Oxo-Ethoxy]Ethoxy]Ethoxy]Acetyl]Amino]-2,4,6-Triiodo-Benzoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 3-[[2-[2-[2-[2-[(3-Carboxy-2,4,6-Triiodophenyl)Amino]-2-Oxoethoxy]Ethoxy]Ethoxy]-1-Oxoethyl]Amino]-2,4,6-Triiodobenzoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 3-[[2-[2-[2-[2-[(3-Carboxy-2,4,6-Triiodo-Phenyl)Amino]-2-Keto-Ethoxy]Ethoxy]Ethoxy]Acetyl]Amino]-2,4,6-Triiodo-Benzoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
• Molecular Formula: C₂₉H₃₅I₆N₃O₁₄
• Molecular Weight: 1411.03
• CAS Registry Number: 72704-51-9 (68890-05-1)
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.C1=C(I)C(=C(I)C(=C1I)C(=O)O)NC(=O)COCCOCCOCC(=O)NC2=C(I)C(=C(I)C=C2I)C(=O)O
• InChI: 1S/C22H18I6N2O9.C7H17NO5/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36;1-8-2-4(10)6(12)7(13)5(11)3-9/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
• InChIKey: WLQIGBUDSUVJCO-WZTVWXICSA-N

Properties

• Boiling point: 938.8°C at 760 mmHg (Cal.)
• Flash point: 521.6°C (Cal.)