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5-Bromo-4-chloro-3-indolyl-N-acetyl-β-D-galactosaminide - 98%, high purity , CAS No.129572-48-1

COA

Grade & Purity:

≥98%

Cas Number: 129572-48-1
Molecular Weight: 449.69
PubChem CID: 9955373

In stock

Item Number

B664119

Grouped product items
SKU	Size	Availability	Price	Qty
B664119-5mg	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	Hexoses O-glycosyl compounds Indoles Aryl bromides Aryl chlorides Benzenoids Substituted pyrroles Oxanes Acetamides Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides Acetals Oxacyclic compounds Azacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-acyl-alpha-hexosamine - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Indole or derivatives - Indole - Aryl halide - Aryl chloride - Benzenoid - Substituted pyrrole - Aryl bromide - Oxane - Monosaccharide - Acetamide - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Primary alcohol - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic 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,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
INCHI	InChI=1S/C16H18BrClN2O6/c1-6(22)20-13-15(24)14(23)10(5-21)26-16(13)25-9-4-19-8-3-2-7(17)12(18)11(8)9/h2-4,10,13-16,19,21,23-24H,5H2,1H3,(H,20,22)/t10-,13-,14+,15-,16-/m1/s1
InChIKey	SUWPNTKTZYIFQT-LMXXTMHSSA-N
Smiles	CC(=O)NC1C(C(C(OC1OC2=CNC3=C2C(=C(C=C3)Br)Cl)CO)O)O
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC2=CNC3=C2C(=C(C=C3)Br)Cl)CO)O)O
PubChem CID	9955373
Molecular Weight	449.69

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	449.700 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	448.004 Da
Monoisotopic Mass	448.004 Da
Topological Polar Surface Area	124.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	517.000
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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