Trigalacturonic Acid
[CAS# 6037-45-2]

Identification

• Classification: Biochemical >> Carbohydrate >> Oligosaccharide
• Name: Trigalacturonic Acid
• Synonyms: (2S,3R,4R,5R,6S)-3-[(2S,3R,4S,5R,6S)-6-Carboxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-6-[(1R,2R,3R)-1-[(1S)-1,2-Dihydroxy-2-Oxo-Ethyl]-2,3-Dihydroxy-4-Oxo-Butoxy]-4,5-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3R,4R,5R,6S)-3-[[(2S,3R,4S,5R,6S)-6-Carboxy-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-6-[(1R,2R,3R)-1-[(1S)-1,2-Dihydroxy-2-Oxoethyl]-2,3-Dihydroxy-4-Oxobutoxy]-4,5-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3R,4R,5R,6S)-3-[(2S,3R,4S,5R,6S)-6-Carboxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-6-[(1R,2R,3R)-1-[(1S)-1,2-Dihydroxy-2-Keto-Ethyl]-2,3-Dihydroxy-4-Keto-Butoxy]-4,5-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₈H₂₆O₁₉
• Molecular Weight: 546.39
• CAS Registry Number: 6037-45-2
• SMILES: [C@@H]1(O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)C(O)=O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O[C@H]([C@@H]([C@H](C=O)O)O)[C@@H](C(O)=O)O)O)O
• InChI: 1S/C18H26O19/c19-1-2(20)3(21)10(9(27)14(28)29)34-18-8(26)6(24)11(13(37-18)16(32)33)35-17-7(25)4(22)5(23)12(36-17)15(30)31/h1-13,17-18,20-27H,(H,28,29)(H,30,31)(H,32,33)/t2-,3+,4-,5+,6+,7+,8+,9-,10+,11+,12-,13-,17-,18-/m0/s1
• InChIKey: FMNDXLWVYMQMHF-XKLWFNJZSA-N

Properties

• Density: 1.964g/cm³ (Cal.)
• Boiling point: 1051.182°C at 760 mmHg (Cal.)
• Flash point: 358.777°C (Cal.)