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

CAS: 881005-91-0 Cat. No.: M304824 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488199309
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199309
• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 352.30(anhydrous basis)

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• Description: 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

Chemical and Physical Properties

• Specific Rotation[α]: -119° (C=0.2,H2O)
• Molecular Weight: 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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