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p-Nitrophenyl 2-Acetamido-2-deoxy-3-O-acetyl-β-D-glucopyranoside - 98%, high purity , CAS No.23262-57-9

COA

Grade & Purity:

≥98%

Cas Number: 23262-57-9
Molecular Weight: 384.34
PubChem CID: 14775022

In stock

Item Number

P664531

Grouped product items
SKU	Size	Availability	Price	Qty
P664531-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,333.90

Basic Description

Specifications & Purity	≥98%
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.

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	Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Oxanes Monosaccharides Acetamides Secondary alcohols Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-acyl-alpha-hexosamine - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Acetamide - Organic nitro compound - Secondary alcohol - C-nitro compound - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organic hyponitrite - 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	[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl] acetate
INCHI	InChI=1S/C16H20N2O9/c1-8(20)17-13-15(25-9(2)21)14(22)12(7-19)27-16(13)26-11-5-3-10(4-6-11)18(23)24/h3-6,12-16,19,22H,7H2,1-2H3,(H,17,20)/t12-,13-,14-,15-,16-/m1/s1
InChIKey	USHWODHGXQXCCH-OXGONZEZSA-N
Smiles	CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)OC(=O)C
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)OC(=O)C
Molecular Weight	384.34
Reaxy-Rn	1408919
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1408919&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	384.340 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	384.117 Da
Monoisotopic Mass	384.117 Da
Topological Polar Surface Area	160.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	544.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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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