Copiamycin
[CAS# 11078-23-2]

Identification

• Name: Copiamycin
• Synonyms: 3-[[(13E,19E)-17-[(E)-1,3-Dimethyl-11-[(N'-Methylcarbamimidoyl)Amino]Undec-7-Enyl]-1,3,7,9,11,21,23,25,31,32-Decahydroxy-4,8,12,18,22-Pentamethyl-15-Oxo-16,33-Dioxabicyclo[27.3.1]Tritriaconta-13,19-Dien-27-Yl]Oxy]-3-Oxo-Propanoic Acid; 3-[[(13E,19E)-17-[(E)-11-[(Amino-Methyliminomethyl)Amino]-1,3-Dimethylundec-7-Enyl]-1,3,7,9,11,21,23,25,31,32-Decahydroxy-4,8,12,18,22-Pentamethyl-15-Oxo-16,33-Dioxabicyclo[27.3.1]Tritriaconta-13,19-Dien-27-Yl]Oxy]-3-Oxopropanoic Acid; 3-[[(13E,19E)-17-[(E)-1,3-Dimethyl-11-[(N'-Methylcarbamimidoyl)Amino]Undec-7-Enyl]-1,3,7,9,11,21,23,25,31,32-Decahydroxy-15-Keto-4,8,12,18,22-Pentamethyl-16,33-Dioxabicyclo[27.3.1]Tritriaconta-13,19-Dien-27-Yl]Oxy]-3-Keto-Propionic Acid
• Molecular Formula: C₅₄H₉₅N₃O₁₇
• Molecular Weight: 1058.35
• CAS Registry Number: 11078-23-2
• SMILES: C(C(C2OC(=O)/C=C/C(C(O)CC(O)C(C(O)CCC(C(O)CC1(OC(CC(O)C1O)CC(OC(=O)CC(O)=O)CC(O)CC(O)C(C(O)\C=C\C2C)C)O)C)C)C)C)C(CCC\C=C\CCCNC(N)=NC)C
• InChI: 1S/C54H95N3O17/c1-31(15-13-11-9-10-12-14-22-57-53(55)56-8)23-35(5)51-34(4)17-20-42(60)36(6)44(62)25-38(58)24-39(72-50(69)29-48(66)67)26-40-27-46(64)52(70)54(71,74-40)30-47(65)33(3)16-19-41(59)37(7)45(63)28-43(61)32(2)18-21-49(68)73-51/h9-10,17-18,20-21,31-47,51-52,58-65,70-71H,11-16,19,22-30H2,1-8H3,(H,66,67)(H3,55,56,57)/b10-9+,20-17+,21-18+
• InChIKey: DTXXAWMAXGFPJR-ZHUNZMOSSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 1132.956°C at 760 mmHg (Cal.)
• Flash point: 638.989°C (Cal.)