≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Phenyl-β-D-glucuronide is majorly used as a reference standard in chromatographic and mass spectrophotometry studies for quantifying glucuroconjugate metabolites in plasma and urine samples.
Phenyl-β-D-glucuronide has been used as a nonpeptide chromogen for testing biuret reagent and as a reference standard for phenol analysis in urine samples.
| Canonical Smiles | C1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid |
| InChIKey | WVHAUDNUGBNUDZ-GOVZDWNOSA-N |
| INCHI | 1S/C12H14O7/c13-7-8(14)10(11(16)17)19-12(9(7)15)18-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12+/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| PubChem CID | 87235 |
| Molecular Weight | 270.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Glycosyl compounds |
| Direct Parent | Phenolic glycosides |
| Alternative Parents | O-glucuronides O-glycosyl compounds Phenol ethers Phenoxy compounds Beta hydroxy acids and derivatives Oxanes Pyrans Monosaccharides Secondary alcohols Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Polyols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Phenoxy compound - Phenol ether - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Monosaccharide - Pyran - Oxane - Secondary alcohol - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Polyol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. |
| External Descriptors | beta-D-glucosiduronic acid |
| Molecular Weight | 270.230 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 270.074 Da |
| Monoisotopic Mass | 270.074 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 315.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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