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CAS 1041134-19-3

:

β-D-Glucopyranosiduronic acid, 4-oxo-3-[4-(sulfooxy)phenyl]-4H-1-benzopyran-7-yl, sodium salt (1:2)

Description:
β-D-Glucopyranosiduronic acid, 4-oxo-3-[4-(sulfooxy)phenyl]-4H-1-benzopyran-7-yl, sodium salt (1:2) is a complex organic compound characterized by its structural components, which include a glucuronic acid moiety and a benzopyran derivative with a sulfonic acid group. This compound typically exhibits properties such as high solubility in water due to the presence of the sodium salt and sulfonate groups, which enhance its ionic character. It may display biological activity, potentially acting as a metabolite or a conjugate in biochemical pathways. The presence of the sulfooxy group suggests potential applications in pharmaceuticals or as a biochemical probe. Additionally, the compound's structure indicates it may participate in various chemical reactions, including conjugation and redox processes. Its stability and reactivity can be influenced by pH and environmental conditions, making it important to consider these factors in practical applications. Overall, this compound represents a unique intersection of carbohydrate chemistry and aromatic compounds, with potential implications in medicinal chemistry and biochemistry.
Formula:C21H18O13S·2Na
InChI:InChI=1S/C21H18O13S.2Na/c22-15-12-6-5-11(32-21-18(25)16(23)17(24)19(33-21)20(26)27)7-14(12)31-8-13(15)9-1-3-10(4-2-9)34-35(28,29)30;;/h1-8,16-19,21,23-25H,(H,26,27)(H,28,29,30);;/t16-,17-,18+,19-,21+;;/m0../s1
InChI key:InChIKey=LBOHZYLBUVKTRD-DSGPYVBMSA-N
SMILES:O=C1C=2C(=CC(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)=CC2)OC=C1C4=CC=C(OS(=O)(=O)O)C=C4.[Na]
Synonyms:
  • β-D-Glucopyranosiduronic acid, 4-oxo-3-[4-(sulfooxy)phenyl]-4H-1-benzopyran-7-yl, sodium salt (1:2)
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