(2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-Oxohexanoic Acid
[CAS# 3402-98-0]

Identification

• Name: (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-Oxohexanoic Acid
• Synonyms: (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-Oxo-Hexanoic Acid; (2S,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-Keto-Hexanoic Acid; Iduronic Acid
• Molecular Formula: C₆H₁₀O₇
• Molecular Weight: 194.14
• CAS Registry Number: 3402-98-0
• SMILES: [C@@H]([C@H]([C@@H](C=O)O)O)([C@@H](C(O)=O)O)O
• InChI: 1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5+/m1/s1
• InChIKey: IAJILQKETJEXLJ-LECHCGJUSA-N

Properties

• Density: 1.748g/cm³ (Cal.)
• Boiling point: 553.434°C at 760 mmHg (Cal.)
• Flash point: 302.565°C (Cal.)

References

• (1): Emilio B. Cagmat, Jan Szczepanski, Wright L. Pearson, David H. Powell, John R. Eyler and Nick C. Polfer. Vibrational signatures of metal-chelated monosaccharide epimers: gas-phase infrared spectroscopy of Rb+-tagged glucuronic and iduronic acid, Phys. Chem. Chem. Phys., 2010, 12, 3474.