4-Methylumbelliferyl β-D-Glucuronide Hydrate - ≥98% , CAS No.881005-91-0

CAS: 881005-91-0 Cat. No.: M304824 Peso molecular: 352.30(anhydrous basis) PubChem CID: 16218413

GRADE & PURITY ≥98%

Synonyms

4-Methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid--water (1/1) | 4-Methylumbelliferyl-??-D-glucuronide hydrate | A-D-glucuronide hydrate | DTXSID60584932 | PD100556 | 4-Methylumbelliferyl-beta-D-glucuronide hydrate, suitable for fluores

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

4-Methylumbelliferyl β-D-Glucuronide Hydrate(MUG)  is a chemical commonly used for the detection of transformed plants. MUG shows low levels of fluorescence until treatment with glucuronidase (GUS) encoded in transformed plants. Transformed plants can be identified by their MUG fluorescence.

Specifications

Sinónimos

4-Methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid--water (1/1) | 4-Methylumbelliferyl-??-D-glucuronide hydrate | A-D-glucuronide hydrate | DTXSID60584932 | PD100556 | 4-Methylumbelliferyl-beta-D-glucuronide hydrate, suitable for fluores

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

• Pubchem Sid: 488199309
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199309
• Sonrisas canónicas: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O.O
• IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid;hydrate
• InChIKey: URVSQZMOFUEQAW-YYHOVTOASA-N
• INCHI: 1S/C16H16O9.H2O/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22;/h2-5,11-14,16,18-20H,1H3,(H,21,22);1H2/t11-,12-,13+,14-,16+;/m0./s1
• Isómeros SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O.O
• PubChem CID: 16218413
• Peso molecular: 352.30(anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives
      • Subclass Coumarin glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Coumarin glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarin glycosides
• Alternative Parents: Phenolic glycosides O-glucuronides O-glycosyl compounds 1-benzopyrans Pyranones and derivatives Beta hydroxy acids and derivatives Benzenoids Monosaccharides Oxanes Heteroaromatic compounds Lactones Secondary alcohols Acetals Monocarboxylic acids and derivatives Carboxylic acids Polyols Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin-7-o-glycoside - Coumarin o-glycoside - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Pyranone - Beta-hydroxy acid - Benzenoid - Pyran - Oxane - Hydroxy acid - Monosaccharide - Heteroaromatic compound - Secondary alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.
• 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

• Rotación específica [α]: -119° (C=0.2,H2O)
• Peso molecular: 370.310 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 370.09 Da
• Monoisotopic Mass: 370.09 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 574.000
• 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: 2

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