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2-Methoxycarbonylphenyl 2-acetamido-2-deoxy-b-D-glucopyranoside - ≥95%, high purity , CAS No.6835-61-6

COA

Grade & Purity:

≥95%

Cas Number: 6835-61-6
MDL number: MFCD08703768
PubChem CID: 11889849

In stock

Item Number

M769389

Grouped product items
SKU	Size	Availability	Price	Qty
M769389-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,248.90

Basic Description

Specifications & Purity	≥95%
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 Benzoic acid esters Benzoyl derivatives Phenol ethers Phenoxy compounds Sugar acids and derivatives Oxanes Methyl esters Acetamides Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-acyl-alpha-hexosamine - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Sugar acid - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Acetamide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - 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	methyl 2-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
INCHI	InChI=1S/C16H21NO8/c1-8(19)17-12-14(21)13(20)11(7-18)25-16(12)24-10-6-4-3-5-9(10)15(22)23-2/h3-6,11-14,16,18,20-21H,7H2,1-2H3,(H,17,19)/t11-,12-,13-,14-,16-/m1/s1
InChIKey	OCTAXAHVUYMHBW-UTGUJQJDSA-N
Smiles	CC(=O)NC1C(C(C(OC1OC2=CC=CC=C2C(=O)OC)CO)O)O
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=CC=C2C(=O)OC)CO)O)O
Alternate CAS	6835-61-6
PubChem CID	11889849

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	355.340 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	355.127 Da
Monoisotopic Mass	355.127 Da
Topological Polar Surface Area	135.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	473.000
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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