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4-Methylumbelliferyl N，N-diacetyl-β-D-chitobioside - ≥98%(TLC), high purity , CAS No.53643-12-2

COA

Grade & Purity:

≥98%

Cas Number: 53643-12-2
Molecular Weight: 582.55 (anhydrous basis)
MDL number: MFCD00082499
PubChem CID: 171284

In stock

Item Number

M769945

Grouped product items
SKU	Size	Availability	Price	Qty
M769945-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$381.90

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Carbohydrates (9)

Basic Description

Synonyms	4-Methylumbelliferyl β-D-N,N′diacetylchitobioside hydrate \| 7-[[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]oxy]-4-methyl-2H-1-benzopyran-2-one
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	4-Methylumbelliferyl β-D-N,N′-diacetylchitobioside hydrate (MUF-diNAG) is an analog of chitin. It is a fluorogenic substrate for chitin depolymerase and its breakdown results in methylumbelliferone, a fluorescent product.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	4-Methylumbelliferyl β-D-N,N′-diacetylchitobioside hydrate has been used as a fluorogenic substrate: in chitinase enzyme assay of bronchoalveolar lavage samples； in acidic mammalian chitinase activity assay of human gastric juice； in chitinase assay in crystalline style extracts of Greenshell Mussels and fungus Fusarium oxysporum.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Coumarins and derivatives
    - Subclass Coumarin glycosides

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Coumarin glycosides
Intermediate Tree Nodes	Not available
Direct Parent	Coumarin glycosides
Alternative Parents	N-acyl-alpha-hexosamines Disaccharides O-glycosyl compounds 1-benzopyrans Pyranones and derivatives Oxanes Benzenoids Acetamides Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Lactones Oxacyclic compounds Acetals Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin-7-o-glycoside - Coumarin o-glycoside - N-acyl-alpha-hexosamine - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Pyranone - Oxane - Pyran - Benzenoid - Acetamide - Heteroaromatic compound - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Lactone - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
INCHI	InChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4-7,16-17,19-26,29-30,34-36H,8-9H2,1-3H3,(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1
InChIKey	UPSFMJHZUCSEHU-JYGUBCOQSA-N
Smiles	O=C(C)N[C@H]1[C@H](OC2=CC=C(C(C)=CC(O3)=O)C3=C2)O[C@H](CO)[C@@H](O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]1O
Isomeric SMILES	CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C
Molecular Weight	582.55 (anhydrous basis)

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMF: 9.80-10.20 mg/mL, clear, colorless to light yellow
Molecular Weight	582.600 g/mol
XLogP3	-2.900
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Exact Mass	582.206 Da
Monoisotopic Mass	582.206 Da
Topological Polar Surface Area	223.000 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	994.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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