(4S,5R,6R)-6-[(2R,3R,4R,5R)-2-Acetamido-4,5,6-Trihydroxy-1-Oxohexan-3-Yl]Oxy-4,5-Dihydroxy-5,6-Dihydro-4H-Pyran-2-Carboxylic Acid
[CAS# 110326-09-5]

Identification

• Name: (4S,5R,6R)-6-[(2R,3R,4R,5R)-2-Acetamido-4,5,6-Trihydroxy-1-Oxohexan-3-Yl]Oxy-4,5-Dihydroxy-5,6-Dihydro-4H-Pyran-2-Carboxylic Acid
• Synonyms: (4S,5R,6R)-6-[(1R,2R,3R)-1-[(1R)-1-Acetamido-2-Oxo-Ethyl]-2,3,4-Trihydroxy-Butoxy]-4,5-Dihydroxy-5,6-Dihydro-4H-Pyran-2-Carboxylic Acid; (4S,5R,6R)-6-[(1R,2R,3R)-1-[(1R)-1-Acetamido-2-Oxoethyl]-2,3,4-Trihydroxybutoxy]-4,5-Dihydroxy-5,6-Dihydro-4H-Pyran-2-Carboxylic Acid; (4S,5R,6R)-6-[(1R,2R,3R)-1-[(1R)-1-Acetamido-2-Keto-Ethyl]-2,3,4-Trihydroxy-Butoxy]-4,5-Dihydroxy-5,6-Dihydro-4H-Pyran-2-Carboxylic Acid
• Molecular Formula: C₁₄H₂₁NO₁₁
• Molecular Weight: 379.32
• CAS Registry Number: 110326-09-5
• SMILES: [C@H](O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(=O)O)([C@H](O)[C@H](O)CO)[C@@H](NC(=O)C)C=O
• InChI: 1S/C14H21NO11/c1-5(18)15-6(3-16)12(10(21)8(20)4-17)26-14-11(22)7(19)2-9(25-14)13(23)24/h2-3,6-8,10-12,14,17,19-22H,4H2,1H3,(H,15,18)(H,23,24)/t6-,7-,8+,10+,11+,12+,14-/m0/s1
• InChIKey: AALORNCJXUQNQW-FNGWHDOKSA-N

Properties

• Density: 1.623g/cm³ (Cal.)
• Boiling point: 884.417°C at 760 mmHg (Cal.)
• Flash point: 488.678°C (Cal.)