Chitin - Moligand™,High-purity , CAS No.1398-61-4

CAS: 1398-61-4 Cat. No.: C104157 Summenformel: （C₈H₁₃NO₅ ）n EG-Nummer: 215-744-3

GRADE & PURITY Moligand™, High-purity

Synonyms

Chitin from shrimp shells, practical grade, powder | Chitin from shrimp shells | Chitin from shrimp shells, BioReagent, suitable for analysis of chitinase, purified powder | SCHEMBL8656145 | Chitin from shrimp shells, Vetec(TM) reagent grade | Chitin from

Storage

Desiccated,Room temperature

Shipped In

Normal

Übersicht

Chitin is used in the analysis of Chitinase. It is plays a role in the formation of arthropod exoskeletons.
A long chain polymer of a glucose derivative found in cell walls. Chitin from shrimp shells, a long-chain polymer of a β-1,4 linked N-acetylglucosamine residues, may be used to study the formation and physicochemical properties of arthropod exoskeletons. It may be used to identify and characterize chitinase(s) and chitin deacetylase(s) and for comparison with chitins from other species. Chitin from shrimp shells may be used in chitin asthma and allergy research. Chitin may be used as a viscosity/thickening agent or binder.

Specifications

Synonyme

Chitin from shrimp shells, practical grade, powder | Chitin from shrimp shells | Chitin from shrimp shells, BioReagent, suitable for analysis of chitinase, purified powder | SCHEMBL8656145 | Chitin from shrimp shells, Vetec(TM) reagent grade | Chitin from

Spezifikationen & Reinheit

Moligand™,High-purity

Storage

Desiccated,Room temperature

Verschickt in

Normal

Note

High-purity, Moligand™

Namen und Kennungen

Pubchem Sid

488195859

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195859

Kanonisches Lächeln

CC(=O)NC1C(C(C(OC1O)CO)O)O

IUPAC Name

N-[(2R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

InChIKey

OVRNDRQMDRJTHS-WTZNIHQSSA-N

INCHI

1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4?,5?,6?,7?,8-/m1/s1

Isomere SMILES

CC(=O)NC1[C@@H](OC(C(C1O)O)CO)O

WGK Deutschland

3

Reaxy-Rn

1913591

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1913591&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Ebene5 Aminosaccharides
          • Ebene6 Amino sugars
            • Ebene7 Acylaminosugars

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Amino sugars
• Direct Parent: Acylaminosugars
• Alternative Parents: N-acyl-alpha-hexosamines Hexoses Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Acylaminosugar - N-acyl-alpha-hexosamine - Hexose monosaccharide - Monosaccharide - Oxane - Acetamide - Carboxamide group - Hemiacetal - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Polyol - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Primary alcohol - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: It is soluble in concentrated formic acid and methane sulfonic acid, insoluble in water, organic solvents, weak acids and lyes.
• Molekulargewicht: 221.210 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 221.09 Da
• Monoisotopic Mass: 221.09 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1