4-Methylumbelliferyl-6-thiogalactoside
Basic information
- CAS
126938-14-5- Standard SMILES
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]3O)ccc12- InChIKey
PAMBMLAUEGWIPT-DZQJYWQESA-N- Molecular formula
- C16H18O11S
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.0569824
Overview
used to diagnose Morquio disease type A
Names & identifiers
- Preferred name
- 4-Methylumbelliferyl-6-thiogalactoside
- IUPAC
- [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl hydrogen sulfate
- English name
- 4-Methylumbelliferylbeta-D-galactopyranoside-6-sulfatesodiumsalt
- Molecular formula
- C16H18O11S
- Molecular weight
- 418.37
Names & synonyms
126938-14-54-Ubsg4-Methylumbelliferyl-6-sulfogalactoside4-Methylumbelliferyl-6-thiogalactosideRefChem:99972[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl hydrogen sulfate((2R,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate4-Methylumbelliferyl-|A-D-galactopyranoside 6-sulfate4-Methylumbelliferylbeta-D-galactopyranoside-6-sulfatesodiumsaltSCHEMBL24691DTXSID80925747HY-D1633
Show more names
4MU B-D-GALACTOPYRANOSIDE-6-SULFATE SODIUM SALT4-Methylumbelliferyl β-D-galactopyranoside-6-sulfate4-Methylumbelliferyl b-D-galactopyranoside-6-sulphate2H-1-Benzopyran-2-one, 4-methyl-7-[(6-O-sulfo-β-D-galactopyranosyl)oxy]-4-Methyl-7-[(6-O-sulfo-beta-D-galactopyranosyl)oxy]-2H-1-benzopyran-2-one4-Methylumbelliferyl β-D-galactopyranoside-6-sulfate sodium salt4-Methylumbelliferylbeta-D-galactopyranoside-6-sulfatesodiumsalt USP/EP/BP
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 715
Physicochemical properties
- Melting point
- 196 · 196-200°C
- Density
- 1.676 · 1.676±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Water
- form
- Solid
- pka
- -3.54 · -3.54±0.18(Predicted)
- color
- White to Off-White
- InChIKey
- KHTOBGQRIASILC-XNSOHGFJSA-M
- SMILES
- [Na+].CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H](COS([O-])(=O)=O)[C@H](O)[C@H](O)[C@H]3O)ccc12
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 32 · NA.32
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usessuitable as a fluorogenic substrate for galactose-6-sulfate sulphatase; fluorogenic substrate for the diagnosis of Morquio disease type A
Uses4-Methylumbelliferyl β-D-galactopyranoside-6-sulfate can be used for the determination of galactose-6-sulphate sulphatase activity. Used in the diagnosis of Mucopolysaccharidosis IV A.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…