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2-Acetamido-2,4-dideoxy-4-fluoro-alpha-D-glucopyranose - 97%(Isomer mixture), high purity , CAS No.129728-87-6
Hepatic glycosaminoglycan biosynthesis inhibitor
Basic Description
Synonyms
2-Acetamido-2,4-dideoxy-4-fluoro-α-D-glucopyranose
Specifications & Purity
≥97%, mixture of isomers
Biochemical and Physiological Mechanisms
Hepatic glycosaminoglycan biosynthesis inhibitor.
Storage Temp
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Monosaccharides
Direct Parent
Hexoses
Alternative Parents
Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Hemiacetals Fluorohydrins Oxacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Hexose monosaccharide - Oxane - Acetamide - Carboxamide group - Fluorohydrin - Halohydrin - Hemiacetal - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Alcohol - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organofluoride - Organonitrogen compound - Primary alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
Pubchem Sid
504767668
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504767668
IUPAC Name
N-[(2S,3R,4R,5S,6R)-5-fluoro-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
INCHI
InChI=1S/C8H14FNO5/c1-3(12)10-6-7(13)5(9)4(2-11)15-8(6)14/h4-8,11,13-14H,2H2,1H3,(H,10,12)/t4-,5-,6-,7+,8+/m1/s1
InChIKey
QAPRNMNSFDDVPY-YQXRAVKXSA-N
Smiles
CC(=O)NC1C(C(C(OC1O)CO)F)O
Isomeric SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)F)O
PubChem CID
14560951
Molecular Weight
223.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Water
Molecular Weight
223.200 g/mol
XLogP3
-2.100
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
223.086 Da
Monoisotopic Mass
223.086 Da
Topological Polar Surface Area
99.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
239.000
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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G2319371