(4R,5R,6R,7R)-2-Oxo-4,5,6,7,8-Pentahydroxyoctanoic Acid
[CAS# 10149-14-1]

Identification

• Name: (4R,5R,6R,7R)-2-Oxo-4,5,6,7,8-Pentahydroxyoctanoic Acid
• Synonyms: (4R,5R,6R,7R)-4,5,6,7,8-Pentahydroxy-2-Oxo-Octanoic Acid; (4R,5R,6R,7R)-4,5,6,7,8-Pentahydroxy-2-Keto-Caprylic Acid; Keto-3-Deoxy-D-Manno-Oct-2-Ulosonic Acid
• Molecular Formula: C₈H₁₄O₈
• Molecular Weight: 238.19
• CAS Registry Number: 10149-14-1
• SMILES: [C@H]([C@@H]([C@H](O)CO)O)([C@@H](CC(C(=O)O)=O)O)O
• InChI: 1S/C8H14O8/c9-2-5(12)7(14)6(13)3(10)1-4(11)8(15)16/h3,5-7,9-10,12-14H,1-2H2,(H,15,16)/t3-,5-,6-,7-/m1/s1
• InChIKey: KYQCXUMVJGMDNG-SHUUEZRQSA-N

Properties

• Density: 1.685g/cm³ (Cal.)
• Boiling point: 621.688°C at 760 mmHg (Cal.)
• Flash point: 343.799°C (Cal.)