N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-Acetamido-2,3,4-Trihydroxy-6-Oxohexoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
[CAS# 136036-84-5]

Identification

• Name: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-Acetamido-2,3,4-Trihydroxy-6-Oxohexoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Acetamide
• Synonyms: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-Acetamido-2,3,4-Trihydroxy-6-Oxo-Hexoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Acetamide; N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-Acetamido-2,3,4-Trihydroxy-6-Oxohexoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Acetamide; N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-Acetamido-2,3,4-Trihydroxy-6-Keto-Hexoxy]-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₁₆H₂₈N₂O₁₁
• Molecular Weight: 424.40
• CAS Registry Number: 136036-84-5
• SMILES: [C@H](C=O)([C@@H](O)[C@@H](O)[C@H](O)CO[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@H](O1)CO)NC(=O)C)NC(=O)C
• InChI: 1S/C16H28N2O11/c1-6(21)17-8(3-19)12(24)13(25)9(23)5-28-16-11(18-7(2)22)15(27)14(26)10(4-20)29-16/h3,8-16,20,23-27H,4-5H2,1-2H3,(H,17,21)(H,18,22)/t8-,9+,10+,11+,12+,13-,14+,15+,16+/m0/s1
• InChIKey: INPSEHNBUMPUQB-BJMGCPOCSA-N

Properties

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