N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Nitrophenoxy)Oxan-2-Yl]Methoxy]Oxan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
[CAS# 147985-37-3]

Identification

• Name: N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Nitrophenoxy)Oxan-2-Yl]Methoxy]Oxan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
• Synonyms: N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Nitrophenoxy)Tetrahydropyran-2-Yl]Methoxy]Tetrahydropyran-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Acetamide; N-[(2S,3S,4R,5S,6R)-2-[[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Nitrophenoxy)-2-Tetrahydropyranyl]Methoxy]-3-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Acetamide; N-[(2S,3S,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Methoxymethyl)-2-[[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-Nitrophenoxy)Tetrahydropyran-2-Yl]Methoxy]Tetrahydropyran-3-Yl]Oxy-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₂₇H₄₀N₂O₁₈
• Molecular Weight: 680.62
• CAS Registry Number: 147985-37-3
• SMILES: [C@@H]4(O[C@@H]1[C@H](O[C@@H]([C@@H](O)[C@@H]1O)COC)OC[C@H]3O[C@@H](OC2=CC=C([N+]([O-])=O)C=C2)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]([C@@H](O)[C@H](O)[C@@H]4NC(=O)C)CO
• InChI: 1S/C27H40N2O18/c1-10(31)28-16-20(35)17(32)13(7-30)44-25(16)47-24-22(37)19(34)14(8-41-2)46-27(24)42-9-15-18(33)21(36)23(38)26(45-15)43-12-5-3-11(4-6-12)29(39)40/h3-6,13-27,30,32-38H,7-9H2,1-2H3,(H,28,31)/t13-,14-,15-,16+,17-,18-,19-,20-,21+,22+,23-,24+,25+,26-,27+/m1/s1
• InChIKey: PNKNDAZYCBSECR-NBPSDWTJSA-N

Properties

• Density: 1.62g/cm³ (Cal.)
• Boiling point: 1017.203°C at 760 mmHg (Cal.)
• Flash point: 568.984°C (Cal.)