(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R)-2-Acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
[CAS# 20314-62-9]

Identification

• Name: (2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R)-2-Acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• Synonyms: (2R,3S,4S,5R,6R)-6-[(1R,2S,3R)-1-[(1R)-1-Acetamido-2-Oxo-Ethyl]-2,3,4-Trihydroxy-Butoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2R,3S,4S,5R,6R)-6-[(1R,2S,3R)-1-[(1R)-1-Acetamido-2-Oxoethyl]-2,3,4-Trihydroxybutoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2R,3S,4S,5R,6R)-6-[(1R,2S,3R)-1-[(1R)-1-Acetamido-2-Keto-Ethyl]-2,3,4-Trihydroxy-Butoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₄H₂₃NO₁₂
• Molecular Weight: 397.34
• CAS Registry Number: 20314-62-9
• SMILES: [C@H]1([C@H]([C@@H]([C@@H](O[C@H]1O[C@H]([C@H](C=O)NC(C)=O)[C@H]([C@@H](CO)O)O)C(O)=O)O)O)O
• InChI: 1S/C14H23NO12/c1-4(18)15-5(2-16)11(7(20)6(19)3-17)26-14-10(23)8(21)9(22)12(27-14)13(24)25/h2,5-12,14,17,19-23H,3H2,1H3,(H,15,18)(H,24,25)/t5-,6+,7-,8-,9-,10+,11+,12+,14+/m0/s1
• InChIKey: VBDULUWSKCYWTK-RAWGSSNYSA-N

Properties

• Density: 1.662g/cm³ (Cal.)
• Boiling point: 920.652°C at 760 mmHg (Cal.)
• Flash point: 510.592°C (Cal.)