Chitobiose 2HCl - ≥99%(HPLC) , CAS No.577-76-4

CAS: 577-76-4 Cat. No.: C304046 Molecular Weight: 413.25 PubChem CID: 122158

GRADE & PURITY ≥99%(HPLC)

Synonyms

beta-D-glucosaminyl-(1->4)-aldehydo-D-glucosamine | (2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal | Chitobiose Dihydrochloride | Chitosan Dimer Dihydrochloride

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Chitobiose dihydrochloride, a type of chitosan oligosaccharide, is β- A dimer of glucosamine units formed by 1,4-bond structure.

Specifications

Synonyms

beta-D-glucosaminyl-(1->4)-aldehydo-D-glucosamine | (2R, 3R, 4S, 5R)-2-amino-4-[(2S, 3R, 4R, 5S, 6R)-3-amino-4, 5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3, 5, 6-trihydroxyhexanal | Chitobiose Dihydrochloride | Chitosan Dimer Dihydrochloride

Specifications & Purity

≥99%(HPLC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 504756864
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756864
• Canonical Smiles: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)N)O)N)O)O)O
• IUPAC Name: (2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal
• InChIKey: VUALREFPJJODHZ-JTCHKQLLSA-N
• INCHI: 1S/C12H24N2O9/c13-4(1-15)8(19)11(5(18)2-16)23-12-7(14)10(21)9(20)6(3-17)22-12/h1,4-12,16-21H,2-3,13-14H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-/m0/s1
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)N)O)O)O
• Alternate CAS: 115350-24-8
• PubChem CID: 122158
• Molecular Weight: 413.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: O-glycosyl compounds Oxanes Monosaccharides Beta-hydroxy aldehydes Secondary alcohols 1,2-aminoalcohols Polyols Oxacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Glycosyl compound - O-glycosyl compound - Beta-hydroxy aldehyde - Monosaccharide - Oxane - Secondary alcohol - 1,2-aminoalcohol - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Organopnictogen compound - Organonitrogen compound - Primary alcohol - Primary aliphatic amine - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aldehyde - Alcohol - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
• External Descriptors: chitobioses

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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 340.330 g/mol
• XLogP3: -5.500
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 340.148 Da
• Monoisotopic Mass: 340.148 Da
• Topological Polar Surface Area: 209.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 374.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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