4-Methylumbelliferyl beta-D-galactopyranoside
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Basic information
- CAS
6160-78-7- Standard SMILES
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc12- InChIKey
YUDPTGPSBJVHCN-DZQJYWQESA-N- Molecular formula
- C16H18O8
- Average molar mass
- 338.31 g/mol
- Monoisotopic mass
- 338.10016753
Overview
4-methylumbelliferyl beta-D-galactoside is a beta-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, a beta-D-galactoside and a monosaccharide derivative. It is functionally related to a 4-methylumbelliferone.
Names & identifiers
- Preferred name
- 4-Methylumbelliferyl beta-D-galactopyranoside
- IUPAC
- 4-methyl-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
- English name
- 4-Methylumbelliferyl beta-D-galactoside
- Molecular formula
- C16H18O8
- Molecular weight
- 338.31
Names & synonyms
6160-78-74-Methylumbelliferyl-beta-D-galactopyranoside4-Methylumbelliferyl beta-D-galactopyranoside4-Methylumbelliferyl-galactopyranoside4-Methylumbelliferyl beta-galactoside4-MUBF-GP4-methylumbelliferone-alpha-D-galactoside4-Methylumbelliferyl-alpha-D-galactopyranoside4-methylumbelliferyl-galactopyranoside, ((beta-D)-galactosyloxy)-RefChem:525749228-185-54-Methylumbelliferyl b-D-galactoside
Show more names
MUGMUGAMU-GALMUGGAL4-MU-GALMUG, MUGA4-MU--D-Gal4-MU-b-D-GalMUGALACTOSIDE4-MU-BETA-D-GAL
4-methylumbelliferyl beta-d-galactoside7-(beta-D-Galactopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one4-Methylumbelliferyl b-D-galactopyranosideMFCD000367734-Methylumbelliferyl |A-D-Galactopyranoside4-methyl-7-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one4-methyl-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-oneCHEMBL1393422
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Melting point
- 258 · 258-263 °C (dec.)
- alpha
- -64 · -64 º (c=1, pyridine, after)
- Boiling point
- 626.9 · 626.9±55.0 °C(Predicted)
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in DMSO (40 mg/ml)
- pka
- 12.73 · 12.73±0.70(Predicted)
- form
- Powder
- color
- White to slightly off-white
- Water Solubility
- soluble
- Sensitive
- Moisture Sensitive & Hygroscopic
- BRN
- 94673 · 94673
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month.
- InChI
- InChI=1/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-/s3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2H-1-Benzopyran-2-one, 7-(.beta.-D-galactopyranosyloxy)-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Safety data
- F
- 3-10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29329900
- risk_code
- 26/27/28
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T+
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
Applications
Description4-MUG (6160-78-7) is a versatile fluorogenic substrate for -galactosidase1 for use in cell extracts or purified enzyme preparations.1-3 This substrate produces a water soluble blue fluorescent coumarin fluorophore. Ex: 342 nm; Em: 441 nm
UsesIt is a substrate used for fluorometric assay for β-galactosidase. It is used to detect E-coli n the fluorogenic medium.
UsesSubstrate for fluorometric assay of -D-galactosidase
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A beta-D-galactoside having a 4-methylumbelliferyl substituent at the anomeric position.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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