Phenolphthalein-β-D-glucuronic acid - ≥95% , CAS No.15265-26-6

CAS: 15265-26-6 Cat. No.: P330662 Peso molecular: 494.45 Beilstein Registry Number: 68526 PubChem CID: 3032634

GRADE & PURITY ≥95%

Synonyms

Phenolphthalein glucuronide | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]oxane-2-carboxylic acid | Phenolphthalein beta-D-glucuronide | Phenolphthalein glucuronic acid

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Application

Phenolphthalein b-D-Glucuronide is a commonly used glucuronide conjugate for b-glucuronidase measurements. Highly water-soluble.

Specifications

Sinónimos

Phenolphthalein glucuronide | (2S, 3S, 4S, 5R, 6S)-3, 4, 5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]oxane-2-carboxylic acid | Phenolphthalein beta-D-glucuronide | Phenolphthalein glucuronic acid

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Phenolphthalein β- D-glucosidic acid is β- The chromogenic substrate of glucuronidase can be used to determine the colored products obtained by the reaction at the wavelength of 552 nm.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged, Desiccated

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

≥95%

Nombres e identificadores

• Pubchem Sid: 488194199
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194199
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O
• IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]oxane-2-carboxylic acid
• InChIKey: FXJYOZKDDSONLX-XADSOVDISA-N
• INCHI: 1S/C26H22O10/c27-15-9-5-13(6-10-15)26(18-4-2-1-3-17(18)24(33)36-26)14-7-11-16(12-8-14)34-25-21(30)19(28)20(29)22(35-25)23(31)32/h1-12,19-22,25,27-30H,(H,31,32)/t19-,20-,21+,22-,25+,26?/m0/s1
• Isómeros SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
• WGK Alemania: 3
• PubChem CID: 3032634
• Peso molecular: 494.45
• Beilstein: 68526

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: Fatty acyl glycosides of mono- and disaccharides O-glucuronides Alkyl glycosides O-glycosyl compounds Benzofuranones Phthalides Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives Pyrans Oxanes Dicarboxylic acids and derivatives Monosaccharides Secondary alcohols Carboxylic acid esters Lactones Oxacyclic compounds Carboxylic acids Acetals Polyols Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Phenolic glycoside - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - O-glycosyl compound - Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - Phenoxy compound - Phenol ether - Beta-hydroxy acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Hydroxy acid - Monosaccharide - Pyran - Oxane - Carboxylic acid ester - Lactone - Secondary alcohol - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Acetal - Oxacycle - Polyol - Organic oxide - Alcohol - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic 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: Not available

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

• Solubilidad: Ethyl Acetate (Slightly), Methanol (Slightly)
• Sensibilidad: Moisture sensitive
• Índice de refracción: n20D1.71 (Predicted)
• Punto de ebullición (°C): ~804.5° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 332.03° C (Predicted)
• Peso molecular: 494.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 494.121 Da
• Monoisotopic Mass: 494.121 Da
• Topological Polar Surface Area: 163.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 805.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1