N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-2-Acetamido-4-[(2S,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-5,6-Dihydroxy-1-Oxohexan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
[CAS# 138430-53-2]

Identification

• Name: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-2-Acetamido-4-[(2S,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-5,6-Dihydroxy-1-Oxohexan-3-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
• Synonyms: N-[(2R,3R,4R,5S,6R)-2-[(1R,2R,3R)-1-[(1R)-1-Acetamido-2-Oxo-Ethyl]-2-[(2S,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-Butoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Acetamide; N-[(2R,3R,4R,5S,6R)-2-[(1R,2R,3R)-1-[(1R)-1-Acetamido-2-Oxoethyl]-2-[[(2S,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3,4-Dihydroxybutoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Acetamide; N-[(2R,3R,4R,5S,6R)-2-[(1R,2R,3R)-1-[(1R)-1-Acetamido-2-Keto-Ethyl]-2-[(2S,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-Butoxy]-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₂₂H₃₉N₃O₁₅
• Molecular Weight: 585.56
• CAS Registry Number: 138430-53-2
• SMILES: [C@H](C=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[C@H]2[C@@H]([C@@H](O)[C@H](O)[C@H](O2)CO)N)[C@H](O)CO)NC(=O)C
• InChI: 1S/C22H39N3O15/c1-7(30)24-9(3-26)19(39-22-14(25-8(2)31)18(36)16(34)12(6-29)38-22)20(10(32)4-27)40-21-13(23)17(35)15(33)11(5-28)37-21/h3,9-22,27-29,32-36H,4-6,23H2,1-2H3,(H,24,30)(H,25,31)/t9-,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-/m0/s1
• InChIKey: QJKNXGWUJQHJMA-URGUNTPUSA-N

Properties

• Density: 1.573g/cm³ (Cal.)
• Boiling point: 1067.21°C at 760 mmHg (Cal.)
• Flash point: 599.227°C (Cal.)