(2S)-2-[[(2S)-2-Amino-3-(4-Hydroxy-3,5-Diiodophenyl)Propanoyl]Amino]-3-(4-Hydroxy-3,5-Diiodophenyl)Propanoic Acid
[CAS# 1057-47-2]

Identification

• Name: (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxy-3,5-Diiodophenyl)Propanoyl]Amino]-3-(4-Hydroxy-3,5-Diiodophenyl)Propanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxy-3,5-Diiodo-Phenyl)Propanoyl]Amino]-3-(4-Hydroxy-3,5-Diiodo-Phenyl)Propanoic Acid; (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxy-3,5-Diiodophenyl)-1-Oxopropyl]Amino]-3-(4-Hydroxy-3,5-Diiodophenyl)Propanoic Acid; (2S)-2-[[(2S)-2-Amino-3-(4-Hydroxy-3,5-Diiodo-Phenyl)Propanoyl]Amino]-3-(4-Hydroxy-3,5-Diiodo-Phenyl)Propionic Acid
• Molecular Formula: C₁₈H₁₆I₄N₂O₅
• Molecular Weight: 847.95
• CAS Registry Number: 1057-47-2
• SMILES: [C@H](NC(=O)[C@@H](N)CC1=CC(=C(O)C(=C1)I)I)(CC2=CC(=C(O)C(=C2)I)I)C(=O)O
• InChI: 1S/C18H16I4N2O5/c19-9-1-7(2-10(20)15(9)25)5-13(23)17(27)24-14(18(28)29)6-8-3-11(21)16(26)12(22)4-8/h1-4,13-14,25-26H,5-6,23H2,(H,24,27)(H,28,29)/t13-,14-/m0/s1
• InChIKey: LTKNDEMGPUWUJG-KBPBESRZSA-N

Properties

• Density: 2.5g/cm³ (Cal.)
• Boiling point: 715.494°C at 760 mmHg (Cal.)
• Flash point: 386.517°C (Cal.)