(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-Carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Base Information

• Chemical Name: (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-Carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• CAS No.: 6037-45-2
• Molecular Formula: C₁₈H₂₆O₁₉
• Molecular Weight: 546.393
• Hs Code.: 29329990
• UNII: 68Y215MS20
• DSSTox Substance ID: DTXSID60975780
• Wikidata: Q27264285
• Mol file: 6037-45-2.mol

Synonyms:alpha-GalA-GalA-GalA;beta-GalA-GalA-GalA;GalA-(1-4)-GalA-(1-4)-GalA;GalA-GalA-GalA;O-galactopyranosyluronic acid-(1-4)-O-galactopyranosyluronic acid-(1-4)-galactopyranosyluronic acid;trigalacturonic acid

Chemical Property of (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-Carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Chemical Property:

• Boiling Point: 1051.2±65.0 °C(Predicted)
• PKA: 2.66±0.70(Predicted)
• PSA: 319.89000
• Density: 1.96±0.1 g/cm3(Predicted)
• LogP: -7.29610
• Storage Temp.: −20°C
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: -6.4
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 11
• Exact Mass: 546.10682860
• Heavy Atom Count: 37
• Complexity: 836

Purity/Quality:

98%min ^*data from raw suppliers

Trigalacturonic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(=O)C(C(C(C(C(=O)O)O)OC1C(C(C(C(O1)C(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O)O)O)O
• Isomeric SMILES: C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)C(=O)O)O)O)O)O)O)O)O
• Uses: Trigalacturonic Acid, is the product of polygalacturonic acid degradation. The mixture of Oligogalacturonic Acids has shown to have shoot growth in cockscomb (Celosia argentea L.) seedlings.

Technology Process of (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-Carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

There total 1 articles about (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-Carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ O4-[(5S)-5-carboxy-O4-((5S)-5-carboxy-β-L-arabinopyranosyl)-β-L-arabinopyranosyl]-D-galacturonic acid (6037-45-2)

Guidance literature:

With polygalacturonase-substances from aspergillus-artene;

DOI:10.1039/jr9540001361 DOI:10.1016/0003-9861(54)90060-0 DOI:10.1002/hlca.19520350446