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4-Nitrophenyl N，N-Diacetyl-β-D-chitobioside - ≥99%, high purity , CAS No.7284-16-4

COA

Grade & Purity:

≥99%

Cas Number: 7284-16-4
Molecular Weight: 545.49
Beilstein Registry Number: 1445509
MDL number: MFCD00133738
PubChem CID: 10907699

In stock

Item Number

N769241

Grouped product items
SKU	Size	Availability	Price	Qty
N769241-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,089.90

Basic Description

Specifications & Purity	≥99%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	4-Nitrophenyl N , N ′-diacetyl-β - D -chitobioside has been used to measure the exonuclease activity of DOI, a new protein from yam, and the exonuclease activity of ChiEn3 from gray-capped onychophora. It has also been used to measure the activity of a chitinolytic enzyme, N -acetyl-β - D -aminoglucosidase.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates
      - Level5 Aminosaccharides
        Level6 N-acyl-alpha-hexosamines

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Aminosaccharides
Direct Parent	N-acyl-alpha-hexosamines
Alternative Parents	Disaccharides O-glycosyl compounds Nitrobenzenes Nitroaromatic compounds Phenol ethers Phenoxy compounds Oxanes Acetamides Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-acyl-alpha-hexosamine - Disaccharide - Glycosyl compound - O-glycosyl compound - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Monocyclic benzene moiety - Oxane - Benzenoid - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Acetal - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Primary alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.
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-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
INCHI	InChI=1S/C22H31N3O13/c1-9(28)23-15-18(31)17(30)13(7-26)36-22(15)38-20-14(8-27)37-21(16(19(20)32)24-10(2)29)35-12-5-3-11(4-6-12)25(33)34/h3-6,13-22,26-27,30-32H,7-8H2,1-2H3,(H,23,28)(H,24,29)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+/m1/s1
InChIKey	HWBFEVWOQMUQIE-MVEDJEFUSA-N
Smiles	CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC3=CC=C(C=C3)[N+](=O)[O-])CO)CO)O)O
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OC3=CC=C(C=C3)[N+](=O)[O-])CO)CO)O)O
PubChem CID	10907699
Molecular Weight	545.49
Beilstein	1445509

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	545.500 g/mol
XLogP3	-2.600
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	8
Exact Mass	545.186 Da
Monoisotopic Mass	545.186 Da
Topological Polar Surface Area	242.000 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	821.000
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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