(2S,3S,4R,5R)-2,4,5-Trihydroxy-3-Methoxy-6-Oxohexanoic Acid
[CAS# 2463-49-2]

Identification

• Name: (2S,3S,4R,5R)-2,4,5-Trihydroxy-3-Methoxy-6-Oxohexanoic Acid
• Synonyms: (2S,3S,4R,5R)-2,4,5-Trihydroxy-3-Methoxy-6-Oxo-Hexanoic Acid; (2S,3S,4R,5R)-2,4,5-Trihydroxy-6-Keto-3-Methoxy-Hexanoic Acid; 4-O-Methylglucuronic Acid
• Molecular Formula: C₇H₁₂O₇
• Molecular Weight: 208.17
• CAS Registry Number: 2463-49-2
• SMILES: [C@H]([C@H]([C@@H]([C@H](C=O)O)O)OC)(C(=O)O)O
• InChI: 1S/C7H12O7/c1-14-6(5(11)7(12)13)4(10)3(9)2-8/h2-6,9-11H,1H3,(H,12,13)/t3-,4+,5-,6-/m0/s1
• InChIKey: QGGOCWIJGWDKHC-FSIIMWSLSA-N

Properties

• Density: 1.526g/cm³ (Cal.)
• Boiling point: 486.106°C at 760 mmHg (Cal.)
• Flash point: 200.68°C (Cal.)