Methylglucopyranosiduronic Acid
[CAS# 4356-84-7]

Identification

• Name: Methylglucopyranosiduronic Acid
• Synonyms: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-Methoxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-Methoxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-Methoxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₇H₁₂O₇
• Molecular Weight: 208.17
• CAS Registry Number: 4356-84-7
• SMILES: [C@@H]1(O[C@@H](OC)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O
• InChI: 1S/C7H12O7/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4+,5-,7+/m0/s1
• InChIKey: BOFXVYGDIRCHEQ-GHQVIJFQSA-N

Properties

• Density: 1.613g/cm³ (Cal.)
• Boiling point: 461.035°C at 760 mmHg (Cal.)
• Flash point: 192.063°C (Cal.)