N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-1,2,4-Trihydroxy-6-Oxohexan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
[CAS# 136198-41-9]

Identification

• Name: N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-1,2,4-Trihydroxy-6-Oxohexan-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]-2-Hydroxy-4-Oxo-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]-2-Hydroxy-4-Oxobutoxy]-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]-2-Hydroxy-4-Keto-Butoxy]-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₁₆H₂₈N₂O₁₁
• Molecular Weight: 424.40
• CAS Registry Number: 136198-41-9
• SMILES: [C@H](C=O)([C@@H](O)[C@H](O[C@H]1[C@@H]([C@@H](O)[C@@H](O)[C@H](O1)CO)NC(=O)C)[C@H](O)CO)NC(=O)C
• InChI: 1S/C16H28N2O11/c1-6(22)17-8(3-19)12(25)15(9(24)4-20)29-16-11(18-7(2)23)14(27)13(26)10(5-21)28-16/h3,8-16,20-21,24-27H,4-5H2,1-2H3,(H,17,22)(H,18,23)/t8-,9+,10+,11+,12+,13-,14+,15+,16-/m0/s1
• InChIKey: PLJAKLUDUPBLGD-HFMMELOMSA-N

Properties

• Density: 1.507g/cm³ (Cal.)
• Boiling point: 927.677°C at 760 mmHg (Cal.)
• Flash point: 514.841°C (Cal.)