3-Carboxyumbelliferyl beta-D-galactopyranoside

Base Information

• Chemical Name: 3-Carboxyumbelliferyl beta-D-galactopyranoside
• CAS No.: 64664-99-9
• Molecular Formula: C16H16 O10
• Molecular Weight: 368.29
• Hs Code.: 29389090
• DSSTox Substance ID: DTXSID00436082
• Nikkaji Number: J1.666.479K
• Wikidata: Q72515754
• Mol file: 64664-99-9.mol

Synonyms:64664-99-9;3-Carboxyumbelliferyl beta-D-galactopyranoside;CUG;3-Carboxyumbelliferyl b-D-galactopyranoside;2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-3-carboxylic acid;2-Oxo-7-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromene-3-carboxylic acid;SCHEMBL307509;DTXSID00436082;HY-D1026;CS-8076;3-Carboxyumbelliferyl--D-galactopyranoside;3-Carboxyumbelliferyl-b-D-galactopyranoside;W-203405;7-Hydroxycoumarin-3-carboxylic acid-beta-D-galactoside;2-Oxo-7-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromene-3-carboxylicacid;2-oxo-7-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-2H-chromene-3-carboxylic acid

Chemical Property of 3-Carboxyumbelliferyl beta-D-galactopyranoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 186-190 °C(lit.)
• Boiling Point: 699.497oC at 760 mmHg
• PKA: 1.92±0.20(Predicted)
• Flash Point: 259.686oC
• PSA: 166.89000
• Density: 1.718g/cm3
• LogP: -1.33010
• Storage Temp.: −20°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 368.07434670
• Heavy Atom Count: 26
• Complexity: 590

Purity/Quality:

98% ^*data from raw suppliers

3-Carboxyumbelliferyl b-D-galactopyranoside ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C(=C2)C(=O)O
• Isomeric SMILES: C1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)OC(=O)C(=C2)C(=O)O
• Uses: 3-Carboxyumbelliferyl b-D-Galactopyranoside releases free 3-carboxyumbelliferone upon bet-galactosidase enzyme activity.