N-[(3R,4R,5S,6R)-4,5-Dihydroxy-2-[(2S,3S,4S,5S,6R)-4-Hydroxy-5-Methoxy-6-(Methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Nitrophenoxy)Oxan-2-Yl]Methoxy]Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
[CAS# 150161-10-7]

Identification

• Name: N-[(3R,4R,5S,6R)-4,5-Dihydroxy-2-[(2S,3S,4S,5S,6R)-4-Hydroxy-5-Methoxy-6-(Methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Nitrophenoxy)Oxan-2-Yl]Methoxy]Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
• Synonyms: N-[(3R,4R,5S,6R)-4,5-Dihydroxy-2-[(2S,3S,4S,5S,6R)-4-Hydroxy-5-Methoxy-6-(Methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Nitrophenoxy)Tetrahydropyran-2-Yl]Methoxy]Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Acetamide; N-[(3R,4R,5S,6R)-4,5-Dihydroxy-2-[[(2S,3S,4S,5S,6R)-4-Hydroxy-5-Methoxy-6-(Methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Nitrophenoxy)-2-Tetrahydropyranyl]Methoxy]-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Acetamide; N-[(3R,4R,5S,6R)-4,5-Dihydroxy-2-[(2S,3S,4S,5S,6R)-4-Hydroxy-5-Methoxy-6-(Methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Nitrophenoxy)Tetrahydropyran-2-Yl]Methoxy]Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₂₈H₄₂N₂O₁₈
• Molecular Weight: 694.64
• CAS Registry Number: 150161-10-7
• SMILES: [C@@H]2(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H](O[C@@H]([C@@H](OC)[C@@H]2O)COC)OC[C@H]4O[C@@H](OC3=CC=C([N+]([O-])=O)C=C3)[C@H](O)[C@@H](O)[C@@H]4O
• InChI: 1S/C28H42N2O18/c1-11(32)29-17-20(35)18(33)14(8-31)45-26(17)48-25-23(38)24(42-3)16(9-41-2)47-28(25)43-10-15-19(34)21(36)22(37)27(46-15)44-13-6-4-12(5-7-13)30(39)40/h4-7,14-28,31,33-38H,8-10H2,1-3H3,(H,29,32)/t14-,15-,16-,17-,18-,19-,20-,21+,22-,23+,24-,25+,26?,27-,28+/m1/s1
• InChIKey: UAKBGVDLDOMENG-DXERZMJBSA-N

Properties

• Density: 1.561g/cm³ (Cal.)
• Boiling point: 997.493°C at 760 mmHg (Cal.)
• Flash point: 557.064°C (Cal.)