2-[[(12E,14E,20E,22E)-28-(Carbamimidoyl-Hydroxyamino)-2,3,5,7-Tetrahydroxy-19-Oxooctacosa-12,14,20,22-Tetraenoyl]Amino]Acetic Acid
[CAS# 122005-25-8]

Identification

• Name: 2-[[(12E,14E,20E,22E)-28-(Carbamimidoyl-Hydroxyamino)-2,3,5,7-Tetrahydroxy-19-Oxooctacosa-12,14,20,22-Tetraenoyl]Amino]Acetic Acid
• Synonyms: 2-[[(12E,14E,20E,22E)-28-(Carbamimidoyl-Hydroxy-Amino)-2,3,5,7-Tetrahydroxy-19-Oxo-Octacosa-12,14,20,22-Tetraenoyl]Amino]Acetic Acid; 2-[[(12E,14E,20E,22E)-28-(Carbamimidoyl-Hydroxyamino)-2,3,5,7-Tetrahydroxy-1,19-Dioxooctacosa-12,14,20,22-Tetraenyl]Amino]Acetic Acid; 2-[[(12E,14E,20E,22E)-28-(Amidino-Hydroxy-Amino)-2,3,5,7-Tetrahydroxy-19-Keto-Octacosa-12,14,20,22-Tetraenoyl]Amino]Acetic Acid
• Molecular Formula: C₃₁H₅₂N₄O₉
• Molecular Weight: 624.77
• CAS Registry Number: 122005-25-8
• SMILES: C(C(O)C(O)C(=O)NCC(=O)O)C(O)CC(O)CCCC\C=C\C=C\CCCC(=O)\C=C\C=C\CCCCCN(O)C(=N)N
• InChI: 1S/C31H52N4O9/c32-31(33)35(44)20-16-12-8-4-7-10-14-18-24(36)17-13-9-5-2-1-3-6-11-15-19-25(37)21-26(38)22-27(39)29(42)30(43)34-23-28(40)41/h1-3,5,7,10,14,18,25-27,29,37-39,42,44H,4,6,8-9,11-13,15-17,19-23H2,(H3,32,33)(H,34,43)(H,40,41)/b3-1+,5-2+,10-7+,18-14+
• InChIKey: JHJDTYDBQYAKEF-NMPSDRPFSA-N

Properties

• Density: 1.213g/cm³ (Cal.)