Digalacturonic acid

Base Information

• Chemical Name: Digalacturonic acid
• CAS No.: 5894-59-7
• Molecular Formula: C₁₂H₁₈O₁₃
• Molecular Weight: 370.267
• DSSTox Substance ID: DTXSID10974440
• Metabolomics Workbench ID: 68556
• Mol file: 5894-59-7.mol

Synonyms:digalacturonate;digalacturonic acid;digalacturonic acid, (D,alpha-D)-isomer;O-(alpha-D-galactopyranosyluronic acid)-(1-4)-alpha-D-galactopyranuronic acid;sodium digalacturonate

Chemical Property of Digalacturonic acid

Chemical Property:

• Vapor Pressure: 3.97E-29mmHg at 25°C
• Refractive Index: 1.682
• Boiling Point: 793.8 °C at 760 mmHg
• Flash Point: 296.6 °C
• PSA: 223.67000
• Density: 1.97 g/cm³
• LogP: -5.21260
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: -4.2
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 370.07474062
• Heavy Atom Count: 25
• Complexity: 511

Purity/Quality:

99% ^*data from raw suppliers

Digalacturonic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)O)O)O)C(=O)O)O)O
• Isomeric SMILES: [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H](C(O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O
• Uses: Digalacturonic Acid act as signaling molecules in plants, initiating the proteinase inhibitor genes in plants. Also used in the synthesis of adhesion inhibitors for Streptococcus.