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Chemical structure of 4-(β-D-glucopyranosyloxy)benzoic acid

GC71919

4-(β-D-glucopyranosyloxy)benzoic acid

Also known as 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid

4-(β-D-glucopyranosyloxy)benzoic acid is a phenolic glucoside can be isolated from fennel seeds

ChemicalCAS15397-25-8MW300.26FormulaC13H16O8
CAS number
15397-25-8
Molecular weight
300.26
Formula
C13H16O8
InChIKey
XSSDYIMYZONMBL-BZNQNGANSA-N
Catalogue number
GC71919
Brand
GLPBIO
Computed properties PubChem CID 440186 · XLogP -0.8 · TPSA 137 Ų · H-bond donors 5
XLogP
-0.8
TPSA
137 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
21

SMILES C1=CC(=CC=C1C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

Computed descriptors from PubChem (CID 440186), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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