Physicochemical Properties
| Molecular Formula | C16H18O8 |
| Molecular Weight | 338.31 |
| Exact Mass | 338.1 |
| CAS # | 38597-12-5 |
| PubChem CID | 2733788 |
| Appearance | White to off-white solid powder |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 626.9±55.0 °C at 760 mmHg |
| Melting Point | 171-173ºC |
| Flash Point | 233.9±25.0 °C |
| Vapour Pressure | 0.0±1.9 mmHg at 25°C |
| Index of Refraction | 1.641 |
| LogP | -0.46 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 24 |
| Complexity | 506 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O |
| InChi Key | YUDPTGPSBJVHCN-CHUNWDLHSA-N |
| InChi Code | InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13+,14+,15-,16+/m1/s1 |
| Chemical Name | 4-methyl-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | The wavelength of emission for 4-Methylumbelliferyl-α-D-galactopyranoside (4MU-α-Gal) is 440 nm, while the wavelength of excitation is 365 nm [1]. |
| References |
[1]. High throughput screening for inhibitors of alpha-galactosidase. Curr Chem Genomics. 2010 Dec 3;4:67-73. |
| Additional Infomation | 4-methylumbelliferyl alpha-D-galactoside is an alpha-D-galactoside having a 4-methylumbelliferyl substituent at the anomeric position It has a role as a chromogenic compound. It is a member of coumarins, an alpha-D-galactoside and a monosaccharide derivative. It is functionally related to a 4-methylumbelliferone. |
Solubility Data
| Solubility (In Vitro) | DMSO: 33.33 mg/mL (98.52 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.39 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9559 mL | 14.7793 mL | 29.5587 mL | |
| 5 mM | 0.5912 mL | 2.9559 mL | 5.9117 mL | |
| 10 mM | 0.2956 mL | 1.4779 mL | 2.9559 mL |