5-Ketogluconic Acid
[CAS# 815-89-4]

Identification

• Name: 5-Ketogluconic Acid
• Synonyms: Calcium 2,3,4,6-Tetrahydroxy-5-Oxo-Hexanoic Acid; Calcium 2,3,4,6-Tetrahydroxy-5-Keto-Hexanoic Acid; Calcium Bis(D-Xylo-Hex-5-Ulosonate)
• Molecular Formula: C₆H₁₀CaO₇
• Molecular Weight: 234.22
• CAS Registry Number: 815-89-4
• SMILES: C(O)C(=O)C(O)C(O)C(O)C(O)=O.[Ca++]
• InChI: 1S/C6H10O7.Ca/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-5,7,9-11H,1H2,(H,12,13);/q;+2
• InChIKey: TXCXKRTUTISVGF-UHFFFAOYSA-N

Properties

• Boiling point: 650.9°C at 760 mmHg (Cal.)
• Flash point: 361.5°C (Cal.)