L-Aspartic Acid - 33-[(3-Amino-3,6-Dideoxyhexopyranosyl)Oxy]-1,3,5,6,9,11,17,37-Octahydroxy-15,16,18-Trimethyl-N-[2-(4-Morpholinyl)Ethyl]-13-Oxo-14,39-Dioxabicyclo[33.3.1]Nonatriaconta-19,21,23,25,27, 29,31-Heptaene-36-Carboxamide (2:1)
[CAS# 130176-10-2]

Identification

• Name: L-Aspartic Acid - 33-[(3-Amino-3,6-Dideoxyhexopyranosyl)Oxy]-1,3,5,6,9,11,17,37-Octahydroxy-15,16,18-Trimethyl-N-[2-(4-Morpholinyl)Ethyl]-13-Oxo-14,39-Dioxabicyclo[33.3.1]Nonatriaconta-19,21,23,25,27, 29,31-Heptaene-36-Carboxamide (2:1)
• Synonyms: AB-2-Meada; Amphotericin B 2-morpholinoethyl amide diaspartate
• Molecular Formula: C₆₁H₉₉N₅O₂₅
• Molecular Weight: 1302.46
• CAS Registry Number: 130176-10-2
• SMILES: O=C(O)C[C@H](N)C(=O)O.O=C(O)C[C@H](N)C(=O)O.O=C(NCCN1CCOCC1)C2C(O)CC4(O)OC2CC(OC3OC(C)C(O)C(N)C3O)/C=C/C=C\C=C/C=C\C=C/C=C\C=C/C(C)C(O)C(C)C(OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)C4)C
• InChI: 1S/C53H85N3O17.2C4H7NO4/c1-33-17-15-13-11-9-7-5-6-8-10-12-14-16-18-40(72-52-50(66)47(54)49(65)36(4)71-52)30-44-46(51(67)55-21-22-56-23-25-69-26-24-56)43(62)32-53(68,73-44)31-39(59)28-42(61)41(60)20-19-37(57)27-38(58)29-45(63)70-35(3)34(2)48(33)64;2*5-2(4(8)9)1-3(6)7/h5-18,33-44,46-50,52,57-62,64-66,68H,19-32,54H2,1-4H3,(H,55,67);2*2H,1,5H2,(H,6,7)(H,8,9)/b6-5+,9-7+,10-8-,13-11+,14-12+,17-15+,18-16+;;/t;2*2-/m.00/s1
• InChIKey: QRPOXQDFSXMUIU-VOXHTXGZSA-N

Properties

• Boiling point: 1215.8°C at 760 mmHg (Cal.)
• Flash point: 689.1°C (Cal.)
• Refractive index: (Cal.)