Chitotriose Trihydrochloride - ≥98%(HPLC) , CAS No.41708-93-4

CAS: 41708-93-4 Cat. No.: C303684 Molecular Weight: 610.86 PubChem CID: 121978

GRADE & PURITY ≥98%(HPLC)

Synonyms

Chitintriose|chitotriose|41708-93-4|(2R,3R,4R,5R)-2-AMINO-4-[(2R,3R,4R,5S,6R)-3-AMINO-5-[(2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-4-HYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-3,5,6-TRIHYDROXY-HEXANAL|(2R,3R,4S,5R)-2-amino-4-[(2S,3

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Chitintriose | chitotriose | 41708-93-4 | (2R, 3R, 4R, 5R)-2-AMINO-4-[(2R, 3R, 4R, 5S, 6R)-3-AMINO-5-[(2S, 3R, 4R, 5S, 6R)-3-AMINO-4, 5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-4-HYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-3, 5, 6-TRIHYDROXY-HEXANAL | (2R, 3R, 4S, 5R)-2-amino-4-[(2S, 3

Specifications & Purity

≥98%(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

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504756857
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756857
• Canonical Smiles: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)OC(C(CO)O)C(C(C=O)N)O)CO)N)O)O)O
• IUPAC Name: (2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal
• InChIKey: HBAVVSYNWHLVDB-UDAFUQIYSA-N
• INCHI: 1S/C18H35N3O13/c19-5(1-22)11(27)15(6(26)2-23)33-18-10(21)14(30)16(8(4-25)32-18)34-17-9(20)13(29)12(28)7(3-24)31-17/h1,5-18,23-30H,2-4,19-21H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-/m0/s1
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)CO)N)O)O)O
• Alternate CAS: 117436-78-9
• PubChem CID: 121978
• Molecular Weight: 610.86

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 Disaccharides Oxanes 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 - Disaccharide - Glycosyl compound - O-glycosyl compound - Beta-hydroxy aldehyde - Oxane - 1,2-aminoalcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Acetal - Polyol - Alcohol - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Primary amine - Aldehyde - Primary alcohol - 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: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 501.500 g/mol
• XLogP3: -7.900
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 11
• Exact Mass: 501.217 Da
• Monoisotopic Mass: 501.217 Da
• Topological Polar Surface Area: 294.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 636.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• 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

References

1. Cong Gao, Alei Zhang, Kequan Chen, Zhikui Hao, Junmao Tong, Pingkai Ouyang.  (2015)  Characterization of extracellular chitinase from Chitinibacter sp. GC72 and its application in GlcNAc production from crayfish shell enzymatic degradation.  BIOCHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.bej.2015.02.010]

2. Dandan Tang, Jie Zhang, Na Li, Rui Long, Xinyu Wang, Xiaowen Wang, Wei Liu.  (2025)  Rational Design and One-Step Immobilization of Chitosanase for Specific and Recyclable Chitobiose Production.  Foods,  14  (24): (4248).  [PMID:41464955] [10.3390/foods14244248]