N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-2-[(2R,3S,4S,5S,6R)-4-Hydroxy-6-(Hydroxymethyl)-5-Methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-(4-Nitrophenyl)Oxan-2-Yl]Oxyoxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
[CAS# 131089-46-8]

Identification

• Name: N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-2-[(2R,3S,4S,5S,6R)-4-Hydroxy-6-(Hydroxymethyl)-5-Methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-(4-Nitrophenyl)Oxan-2-Yl]Oxyoxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
• Synonyms: N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-2-[(2R,3S,4S,5S,6R)-4-Hydroxy-6-(Hydroxymethyl)-5-Methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-(4-Nitrophenyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Acetamide; N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-2-[[(2R,3S,4S,5S,6R)-4-Hydroxy-6-(Hydroxymethyl)-5-Methoxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-(4-Nitrophenyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Acetamide; N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-2-[(2R,3S,4S,5S,6R)-4-Hydroxy-5-Methoxy-6-Methylol-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-2-(4-Nitrophenyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₂₇H₄₀N₂O₁₈
• Molecular Weight: 680.62
• CAS Registry Number: 131089-46-8
• SMILES: [C@]3(O[C@H]1O[C@@H]([C@@H](OC)[C@H](O)[C@@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)CO)(O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C4=CC=C([N+]([O-])=O)C=C4
• InChI: 1S/C27H40N2O18/c1-10(33)28-16-19(36)17(34)13(7-30)43-25(16)45-23-21(38)22(42-2)15(9-32)44-26(23)47-27(11-3-5-12(6-4-11)29(40)41)24(39)20(37)18(35)14(8-31)46-27/h3-6,13-26,30-32,34-39H,7-9H2,1-2H3,(H,28,33)/t13-,14-,15-,16-,17-,18-,19-,20+,21+,22-,23+,24-,25+,26-,27+/m1/s1
• InChIKey: PWUYCPKVMQERHF-ITEYERCFSA-N

Properties

• Density: 1.655g/cm³ (Cal.)
• Boiling point: 1024.075°C at 760 mmHg (Cal.)
• Flash point: 573.14°C (Cal.)