(3R,5R)-1,3,4,5-Tetrahydroxycyclohexane-1-Carboxylic Acid
[CAS# 36413-60-2]

Identification

• Name: (3R,5R)-1,3,4,5-Tetrahydroxycyclohexane-1-Carboxylic Acid
• Synonyms: (3R,5R)-1,3,4,5-Tetrahydroxy-1-Cyclohexanecarboxylic Acid; (-) Quinic Acid; (-)-Quinic Acid
• Molecular Formula: C₇H₁₂O₆
• Molecular Weight: 192.17
• CAS Registry Number: 36413-60-2
• EINECS: 253-023-5
• SMILES: [C@@H]1(O)CC(O)(C[C@@H](O)[C@@H]1O)C(=O)O
• InChI: 1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7?/m1/s1
• InChIKey: AAWZDTNXLSGCEK-YTPWUJHKSA-N

Properties

• Density: 1.829g/cm³ (Cal.)
• Boiling point: 438.424°C at 760 mmHg (Cal.)
• Flash point: 233.086°C (Cal.)