(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,27Z,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-3,5-Dihydroxy-4-({(3S)-3-Hydroxy-3-[(4R,5R)-5-Hydroxy-2-Phenyl-1,3-Dioxan-4-Yl]-2-Oxopropyl}Amino)-6-Methyltetrahydro-2H- Pyran-2-Yl]Oxy}-1,3,5,6,9,11,17,37-Octahydroxy-15,16,18-Trimethyl-13-Oxo-14,39-Dioxabicyclo[33.3.1]Nonatriaconta-19,21,23,25,27,29,31-Heptaene-36-Carboxylic Acid - (2R,3R,4R,5S)-6-(Methylamino)-1,2,3, 4,5-Hexanepentol (1:1)
[CAS# 136458-97-4]

Identification

• Name: (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,27Z,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-3,5-Dihydroxy-4-({(3S)-3-Hydroxy-3-[(4R,5R)-5-Hydroxy-2-Phenyl-1,3-Dioxan-4-Yl]-2-Oxopropyl}Amino)-6-Methyltetrahydro-2H- Pyran-2-Yl]Oxy}-1,3,5,6,9,11,17,37-Octahydroxy-15,16,18-Trimethyl-13-Oxo-14,39-Dioxabicyclo[33.3.1]Nonatriaconta-19,21,23,25,27,29,31-Heptaene-36-Carboxylic Acid - (2R,3R,4R,5S)-6-(Methylamino)-1,2,3, 4,5-Hexanepentol (1:1)
• Synonyms: 1-Deoxy-1-amino-4,6-O-benzylidene-D-fructosyl Amphotericin B, N-methyl glucamine salt; 1-Deoxy-1-amino-4,6-O-benzylidene-fructosyl-amphotericin B; Amphotericin B, N-(1-deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
• Molecular Formula: C₆₇H₁₀₄N₂O₂₇
• Molecular Weight: 1369.54
• CAS Registry Number: 136458-97-4
• SMILES: O=C(O)[C@@H]1[C@@H](O)C[C@]5(O)O[C@H]1C[C@@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](NCC(=O)[C@@H](O)[C@@H]2OC(OC[C@H]2O)c3ccccc3)[C@@H]4O)/C=C\C=C/C=C\C=C/C=C\C=C/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C5)C.O[C@@H](CNC)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: 1S/C60H87NO22.C7H17NO5/c1-34-20-16-13-11-9-7-5-6-8-10-12-14-19-23-42(81-59-55(74)51(53(72)37(4)80-59)61-32-46(68)54(73)56-47(69)33-78-58(82-56)38-21-17-15-18-22-38)29-48-50(57(75)76)45(67)31-60(77,83-48)30-41(64)27-44(66)43(65)25-24-39(62)26-40(63)28-49(70)79-36(3)35(2)52(34)71;1-8-2-4(10)6(12)7(13)5(11)3-9/h5-23,34-37,39-45,47-48,50-56,58-59,61-67,69,71-74,77H,24-33H2,1-4H3,(H,75,76);4-13H,2-3H2,1H3/b6-5-,9-7-,10-8-,13-11-,14-12-,20-16-,23-19-;/t34-,35-,36-,37+,39+,40+,41-,42-,43+,44+,45-,47+,48-,50+,51-,52+,53+,54+,55-,56+,58?,59-,60+;4-,5+,6+,7+/m00/s1
• InChIKey: JSUJKMOBITWFIW-WVURFWPMSA-N

Properties

• Boiling point: 1311.9°C at 760 mmHg (Cal.)
• Flash point: 747.2°C (Cal.)
• Refractive index: (Cal.)