(E)-2,10-diamino-6-[4-(2-amino-2-carboxy-ethyl)imidazol-1-yl]-5-[(5-amino-5-carboxy-2-hydroxy-pentyl)iminomethyl]undec-5-enedioic acid
[CAS# 58402-48-5]

Identification

• Name: (E)-2,10-diamino-6-[4-(2-amino-2-carboxy-ethyl)imidazol-1-yl]-5-[(5-amino-5-carboxy-2-hydroxy-pentyl)iminomethyl]undec-5-enedioic acid
• Synonyms: (E)-2,10-Diamino-5-[(5-Amino-2,6-Dihydroxy-6-Oxo-Hexyl)Iminomethyl]-6-[4-(2-Amino-3-Hydroxy-3-Oxo-Propyl)Imidazol-1-Yl]Undec-5-Enedioic Acid; (E)-2,10-Diamino-5-[(5-Amino-2,6-Dihydroxy-6-Oxohexyl)Iminomethyl]-6-[4-(2-Amino-3-Hydroxy-3-Oxopropyl)-1-Imidazolyl]Undec-5-Enedioic Acid; (E)-2,10-Diamino-5-[(5-Amino-2,6-Dihydroxy-6-Keto-Hexyl)Iminomethyl]-6-[4-(2-Amino-3-Hydroxy-3-Keto-Propyl)Imidazol-1-Yl]Undec-5-Enedioic Acid
• Molecular Formula: C₂₄H₃₉N₇O₉
• Molecular Weight: 569.61
• CAS Registry Number: 58402-48-5
• SMILES: C1=C(N=C[N]1C(=C(\CCC(N)C(=O)O)C=NCC(O)CCC(N)C(=O)O)/CCCC(N)C(=O)O)CC(N)C(=O)O
• InChI: 1S/C24H39N7O9/c25-16(21(33)34)2-1-3-20(31-11-14(30-12-31)8-19(28)24(39)40)13(4-6-17(26)22(35)36)9-29-10-15(32)5-7-18(27)23(37)38/h9,11-12,15-19,32H,1-8,10,25-28H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)/b20-13+,29-9?
• InChIKey: YPPSUXDXOLEKCU-FTXRCURPSA-N

Properties

• Density: 1.529g/cm³ (Cal.)
• Boiling point: 919.251°C at 760 mmHg (Cal.)
• Flash point: 509.745°C (Cal.)