Amycin A
[CAS# 116296-63-0]

Identification

• Name: Amycin A
• Synonyms: Amycin A; Scopafungin, mono(hydrogen propanedioate)
• Molecular Formula: C₆₂H₁₀₅N₃O₂₁
• Molecular Weight: 1228.51
• CAS Registry Number: 116296-63-0
• SMILES: O=C(O)CC(=O)O.O=C3OC(C(C)CC(C)CCC/C=C/CCCNC(=N/C)/N)C(C=CC=CC(O)C(C)C(O)CC(O)CC2OC(=O)CC(=O)OC1C(O)(OC(CC1O)C2)CC(O)C(C)CCC(O)C(C)C(O)CC(O)C(C=CC(O)C3C)C)C
• InChI: 1S/C59H101N3O17.C3H4O4/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)28-42(63)27-43-29-44-30-51(70)56(77-54(73)32-53(72)76-43)59(75,79-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(74)78-55;4-2(5)1-3(6)7/h10-11,15-16,19-21,24,34-52,55-56,63-71,75H,12-14,17-18,22-23,25-33H2,1-9H3,(H3,60,61,62);1H2,(H,4,5)(H,6,7)/b11-10+,19-15?,20-16?,24-21?
• InChIKey: BCCVNXUXNINSSO-UMZWVIILSA-N

Properties

• Boiling point: 1213.9°C at 760 mmHg (Cal.)
• Flash point: 687.9°C (Cal.)
• Refractive index: (Cal.)