3,3'-(Decanedioyldiimino)bis(2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid)
[CAS# 10058-41-0]

Identification

• Name: 3,3'-(Decanedioyldiimino)bis(2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid)
• Synonyms: 3-[[10-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Amino]-10-Oxo-Decanoyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 3-[[10-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Amino]-1,10-Dioxodecyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 3-[[10-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Amino]-10-Keto-Decanoyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
• Molecular Formula: C₃₅H₄₅I₆N₅O₁₃
• Molecular Weight: 1505.19
• CAS Registry Number: 10058-41-0
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.C(C(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)O)C(=O)NC)CCCCCCCC(=O)NC2=C(I)C(=C(I)C(=C2I)C(=O)O)C(=O)NC
• InChI: 1S/C28H28I6N4O8.C7H17NO5/c1-35-25(41)13-17(29)15(27(43)44)21(33)23(19(13)31)37-11(39)9-7-5-3-4-6-8-10-12(40)38-24-20(32)14(26(42)36-2)18(30)16(22(24)34)28(45)46;1-8-2-4(10)6(12)7(13)5(11)3-9/h3-10H2,1-2H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40)(H,43,44)(H,45,46);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
• InChIKey: ZGBAIVYNMARFCV-WZTVWXICSA-N

Properties

• Boiling point: 891.6°C at 760 mmHg (Cal.)
• Flash point: 493.1°C (Cal.)