Digalacturonic Acid
[CAS# 5894-59-7]

Identification

• Name: Digalacturonic Acid
• Synonyms: (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R)-2-Carboxy-4,5,6-Trihydroxy-Tetrahydropyran-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3R,4S,5R,6S)-6-[[(2S,3R,4R,5R)-2-Carboxy-4,5,6-Trihydroxy-3-Tetrahydropyranyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R)-2-Carboxy-4,5,6-Trihydroxy-Oxan-3-Yl]Oxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₂H₁₈O₁₃
• Molecular Weight: 370.27
• CAS Registry Number: 5894-59-7
• SMILES: [C@@H]1([C@H](OC([C@@H]([C@H]1O)O)O)C(=O)O)O[C@H]2O[C@@H]([C@H](O)[C@@H]([C@H]2O)O)C(=O)O
• InChI: 1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11?,12-/m0/s1
• InChIKey: IGSYEZFZPOZFNC-LKIWRGPLSA-N

Properties

• Density: 1.976g/cm³ (Cal.)
• Boiling point: 793.756°C at 760 mmHg (Cal.)
• Flash point: 296.553°C (Cal.)