(4S,5R)-4,5,6-Trihydroxy-2,3-Dioxohexanoic Acid
[CAS# 3409-57-2]

Identification

• Name: (4S,5R)-4,5,6-Trihydroxy-2,3-Dioxohexanoic Acid
• Synonyms: (4S,5R)-4,5,6-Trihydroxy-2,3-Dioxo-Hexanoic Acid; (4S,5R)-4,5,6-Trihydroxy-2,3-Diketo-Hexanoic Acid; 2,3-Diketogulonic Acid
• Molecular Formula: C₆H₈O₇
• Molecular Weight: 192.13
• CAS Registry Number: 3409-57-2
• SMILES: [C@@H](C(C(C(O)=O)=O)=O)([C@@H](CO)O)O
• InChI: 1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m1/s1
• InChIKey: GJQWCDSAOUMKSE-GBXIJSLDSA-N

Properties

• Density: 1.751g/cm³ (Cal.)
• Boiling point: 580.285°C at 760 mmHg (Cal.)
• Flash point: 318.787°C (Cal.)