2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid
Basic information
- CAS
59322-44-0- Standard SMILES
CC(=O)N[C@@H]1[C@@H](O)C[C@](Oc2ccc3c(C)cc(=O)oc3c2)(C(=O)O)O[C@H]1C(O)[C@H](O)CO- InChIKey
KKDWIUJBUSOPGC-KPPVFQKOSA-N- Molecular formula
- C21H25NO11
- Average molar mass
- 467.4 g/mol
- Monoisotopic mass
- 467.14276061
Overview
fluorogenic substrate for neuramidase
Names & identifiers
- Preferred name
- 2'-(4-Methylumbelliferyl)-alpha-D-N-acetylneuraminic acid
- IUPAC
- (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-[(2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Names & synonyms
59322-44-02'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acidD-glycero-alpha-D-galacto-2-Nonulopyranosidonic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl 5-(acetylamino)-3,5-dideoxy-MUNANA compoundRefChem:80175(2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxo-chromen-7-yl)oxy-6-[(2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid4MU-Nana4-Methylumbelliferone N-acetyl neuraminic acid ketosideSCHEMBL29355049DTXSID70974749DS-0000404-Methylumbelliferyl alpha-ketoside of N-acetylneuraminic acid
Show more names
4-Methyl-2-oxo-2H-1-benzopyran-7-yl (7xi)-3,5-dideoxy-5-[(1-hydroxyethylidene)amino]-alpha-D-galacto-non-2-ulopyranosidonic acid4-Methyl-2-oxo-2H-1-benzopyran-7-yl 3,5-dideoxy-5-[(1-hydroxyethylidene)amino]non-2-ulopyranosidonic acid4-Methylcoumarin-7-yl-5-acetamido-3,5-dideoxy-alpha-glycero-galacto-2-nonulopyranosidonic acid
Database identifiers
- CAS
59322-44-0
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 801
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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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