N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-1,2-Dihydroxy-6-Oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyhexan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
[CAS# 110101-22-9]

Identification

• Name: N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-1,2-Dihydroxy-6-Oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyhexan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
• Synonyms: N-[(2S,3R,4R,5R,6R)-2-[(1S,2R,3R)-3-Acetamido-1-[(1R)-1,2-Dihydroxyethyl]-4-Oxo-2-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Butoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Acetamide; N-[(2S,3R,4R,5R,6R)-2-[(1S,2R,3R)-3-Acetamido-1-[(1R)-1,2-Dihydroxyethyl]-4-Oxo-2-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Butoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Acetamide; N-[(2S,3R,4R,5R,6R)-2-[(1S,2R,3R)-3-Acetamido-1-[(1R)-1,2-Dihydroxyethyl]-4-Keto-2-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Butoxy]-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₂₂H₃₈N₂O₁₆
• Molecular Weight: 586.55
• CAS Registry Number: 110101-22-9
• SMILES: [C@H](C=O)([C@@H](O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO)[C@@H](O[C@H]2[C@@H]([C@@H](O)[C@@H](O)[C@H](O2)CO)NC(=O)C)[C@H](O)CO)NC(=O)C
• InChI: 1S/C22H38N2O16/c1-7(29)23-9(3-25)19(39-22-18(36)17(35)15(33)12(6-28)38-22)20(10(31)4-26)40-21-13(24-8(2)30)16(34)14(32)11(5-27)37-21/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14-,15-,16+,17-,18+,19+,20-,21-,22-/m0/s1
• InChIKey: ASGUPKXCDOJNJC-IHQAUTJNSA-N

Properties

• Density: 1.602g/cm³ (Cal.)
• Boiling point: 1091.601°C at 760 mmHg (Cal.)
• Flash point: 613.978°C (Cal.)