Phenyl-β-D-glucuronide - ≥98% , CAS No.17685-05-1

CAS: 17685-05-1 Cat. No.: P167965 Peso molecular: 270.24 PubChem CID: 87235

GRADE & PURITY ≥98%

Synonyms

WVHAUDNUGBNUDZ-GOVZDWNOSA-N | phenol glucuronide | beta-D-Glucopyranosiduronic acid, phenyl | Phenyl-beta-D-glucuronide, >=99.0% (HPLC) | EINECS 241-666-4 | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxane-2-carboxylic acid | DTXSID601034474 | Phenyl .bet

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

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.

Specifications

Sinónimos

WVHAUDNUGBNUDZ-GOVZDWNOSA-N | phenol glucuronide | beta-D-Glucopyranosiduronic acid, phenyl | Phenyl-beta-D-glucuronide, >=99.0% (HPLC) | EINECS 241-666-4 | (2S, 3S, 4S, 5R, 6S)-3, 4, 5-trihydroxy-6-phenoxyoxane-2-carboxylic acid | DTXSID601034474 | Phenyl .bet

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros 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
• Peso molecular: 270.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 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