N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2-[(2R,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6S)-5-Acetamido-4-Hydroxy-2-(Hydroxymethyl)-6-(4-Nitrophenoxy)Oxan-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
[CAS# 114882-45-0]

Identification

• Name: N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2-[(2R,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6S)-5-Acetamido-4-Hydroxy-2-(Hydroxymethyl)-6-(4-Nitrophenoxy)Oxan-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
• Synonyms: N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2-[(2R,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6S)-5-Acetamido-4-Hydroxy-2-(Hydroxymethyl)-6-(4-Nitrophenoxy)Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Acetamide; N-[(2S,3R,4R,5S,6R)-5-[[(2S,3R,4R,5S,6R)-3-Acetamido-5-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-[[(2R,4R,5R,6S)-5-Acetamido-6-[[(2R,3S,4R,5R,6S)-5-Acetamido-4-Hydroxy-2-(Hydroxymethyl)-6-(4-Nitrophenoxy)-3-Tetrahydropyranyl]Oxy]-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Acetamide; N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2-[(2R,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5R,6S)-5-Acetamido-4-Hydroxy-2-Methylol-6-(4-Nitrophenoxy)Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₄₆H₇₀N₆O₂₈
• Molecular Weight: 1155.08
• CAS Registry Number: 114882-45-0
• SMILES: [C@H]2(O[C@@H]([C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H](O)[C@H]2NC(=O)C)CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)OC6[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)OC5=CC=C([N+]([O-])=O)C=C5)O[C@@H]6CO
• InChI: 1S/C46H70N6O28/c1-15(58)47-27-33(64)32(63)22(10-53)72-43(27)77-39-24(12-55)74-45(29(35(39)66)49-17(3)60)79-41-26(14-57)76-46(31(37(41)68)51-19(5)62)80-40-25(13-56)75-44(30(36(40)67)50-18(4)61)78-38-23(11-54)73-42(28(34(38)65)48-16(2)59)71-21-8-6-20(7-9-21)52(69)70/h6-9,22-46,53-57,63-68H,10-14H2,1-5H3,(H,47,58)(H,48,59)(H,49,60)(H,50,61)(H,51,62)/t22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40?,41-,42-,43+,44+,45+,46+/m1/s1
• InChIKey: USXQTBHWWXZBDA-IWIXEQPTSA-N

Properties

• Density: 1.612g/cm³ (Cal.)
• Boiling point: 1531.623°C at 760 mmHg (Cal.)
• Flash point: 880.094°C (Cal.)