5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid
CAS Registry Number®
1093679-73-2
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CAS Name
5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acidMolecular Formula
C15H16O10Molecular Mass
356.28Cite this Page
5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1093679-73-2 (retrieved ) (CAS RN: 1093679-73-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C15H16O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1
InChIKey
InChIKey=BSOMSDFTZKNUHY-ZYZFHZPYSA-N
SMILES
O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(/C=C/C(O)=O)=CC=C2O
Canonical SMILES
O=C(O)C=CC1=CC=C(O)C(OC2OC(C(=O)O)C(O)C(O)C2O)=C1
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 5-[(1E)-2-carboxyethenyl]-2-hydroxyphenyl
- 5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid
- (2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
