4-Methylumbelliferyl-beta-D-glucuronide dihydrate, 98%

CAS: 6160-80-1 | C₁₆H₁₆O₉·₂H₂O | 388.33 g/mol

Brand:  Thermo Scientific Acros 337220050

Product Code. 15482142

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

• CAS: 6160-80-1
• Molecular Weight (g/mol): 388.33
• Synonym: 4-methylumbelliferyl-beta-d-glucuronide, 4-methylumbelliferyl glucuronide, 4-methylumbelliferone glucuronide, mug trihydrate, 4-methylumbelliferyl beta-glucuronide, 4-methyl-2-oxo-2h-1-benzopyran-7-yl beta-d-glucopyranosiduronic acid, 2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-2h-chromen-7-yl oxy tetrahydro-2h-pyran-2-carboxylic acid, 2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-chromen-7-yl oxy-tetrahydropyran-2-carboxylic acid, 2s,3s,4s,6s,5r-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yloxy-2h-3,4,5,6-tetrahydropyran-2-carboxylic acid, 2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yl oxy oxane-2-carboxylic acid
• ChEBI: CHEBI:1904
• SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O

• Molecular Formula: C₁₆H₁₆O₉·₂H₂O
• InChI Key: ARQXEQLMMNGFDU-JHZZJYKESA-N
• PubChem CID: 91553
• IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid

Specifications

• CAS: 6160-80-1
• Infrared Spectrum: Authentic
• Molecular Formula: C₁₆H₁₆O₉·₂H₂O
• Specific Rotation Condition: −105.00 (30.00°C c=0.25, water)
• Synonym: 4-methylumbelliferyl-beta-d-glucuronide, 4-methylumbelliferyl glucuronide, 4-methylumbelliferone glucuronide, mug trihydrate, 4-methylumbelliferyl beta-glucuronide, 4-methyl-2-oxo-2h-1-benzopyran-7-yl beta-d-glucopyranosiduronic acid, 2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-2h-chromen-7-yl oxy tetrahydro-2h-pyran-2-carboxylic acid, 2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxo-chromen-7-yl oxy-tetrahydropyran-2-carboxylic acid, 2s,3s,4s,6s,5r-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yloxy-2h-3,4,5,6-tetrahydropyran-2-carboxylic acid, 2s,3s,4s,5r,6s-3,4,5-trihydroxy-6-4-methyl-2-oxochromen-7-yl oxy oxane-2-carboxylic acid
• InChI Key: ARQXEQLMMNGFDU-JHZZJYKESA-N
• IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
• PubChem CID: 91553
• Formula Weight: 388.33
• Chemical Name or Material: 4-Methylumbelliferyl-β-D-glucuronide dihydrate

• Melting Point: 102.0°C
• Assay Percent Range: 97.5% min. (HPLC)
• Quantity: 5 g
• Specific Rotation: -105
• Solubility Information: (c=1,H2O at 60°C) Clear colorless solution
• SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
• Molecular Weight (g/mol): 388.33
• ChEBI: CHEBI:1904
• Percent Purity: 98%