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Phenyl N-acetyl-α-D-galactosaminide - 98%, high purity , CAS No.13089-18-4

COA

Grade & Purity:

≥98%

Cas Number: 13089-18-4
Molecular Weight: 297.3
EC Number: 236-000-4
MDL number: MFCD00051205
PubChem CID: 83129

In stock

Item Number

P120926

Grouped product items
SKU	Size	Availability	Price	Qty
P120926-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,035.90

Basic Description

Synonyms	DTXSID901293500 \| Phenyl-alpha-N-acetylgalactosaminide \| Phenyl alpha-N-acetylgalactosaminide \| N-((2R,3R,4R,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-phenoxytetrahydro-2H-pyran-3-yl)acetamide \| Phenyl N-acetyl-alpha-D-galactosaminide \| Phenyl 2-acetamido-
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	O-glycosyl compounds Phenol ethers Phenoxy compounds Monosaccharides Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-acyl-alpha-hexosamine - Glycosyl compound - O-glycosyl compound - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Acetamide - Secondary alcohol - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Acetal - Oxacycle - Carboxylic acid derivative - Primary alcohol - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - 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-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
INCHI	InChI=1S/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)/t10-,11-,12+,13-,14+/m1/s1
InChIKey	ZUJDLWWYFIZERS-RGDJUOJXSA-N
Smiles	CC(=O)NC1C(C(C(OC1OC2=CC=CC=C2)CO)O)O
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC2=CC=CC=C2)CO)O)O
WGK Germany	3
Molecular Weight	297.3
Reaxy-Rn	25965914
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25965914&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	297.300 g/mol
XLogP3	-0.900
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	297.121 Da
Monoisotopic Mass	297.121 Da
Topological Polar Surface Area	108.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	346.000
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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