Chitooctaose hydrochloride - ≥95% , CAS No.98632-70-3

CAS: 98632-70-3 Cat. No.: C305406 Formule: C48H90N8O33·8HCl Poids moléculaire: 1598.94

QUALITÉ & PURETÉ ≥95%

Synonyms

N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)acetamide|D-Glucose, 2-(acetylamino)-2-deoxy-|98632-70-3|2-Acetamido-2-deoxyglucose|Chitooctaose octahydrochloride, 95%|D-Glucose, 2-acetamido-2-deoxy-|D-Mannose, 2-(acetyl-d3-amino)-2-deoxy-|134451-94-8|n-acetyl-l-

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)acetamide | D-Glucose, 2-(acetylamino)-2-deoxy- | 98632-70-3 | 2-Acetamido-2-deoxyglucose | Chitooctaose octahydrochloride, 95% | D-Glucose, 2-acetamido-2-deoxy- | D-Mannose, 2-(acetyl-d3-amino)-2-deoxy- | 134451-94-8 | n-acetyl-l-

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

CC(=O)NC(C=O)C(C(C(CO)O)O)O

IUPAC Name

N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)acetamide

InChIKey

MBLBDJOUHNCFQT-UHFFFAOYSA-N

INCHI

1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)

Isomères SMILES

CC(=O)NC(C=O)C(C(C(CO)O)O)O

Poids moléculaire

1598.94

Reaxy-Rn

22143285

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22143285&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: Aminosaccharides Beta-hydroxy aldehydes Acetamides Secondary carboxylic acid amides Secondary alcohols Polyols Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexose monosaccharide - Amino saccharide - Beta-hydroxy aldehyde - Acetamide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Polyol - Aldehyde - Organonitrogen compound - Organic oxide - Alcohol - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Aliphatic acyclic 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.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 221.210 g/mol
• XLogP3: -3.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 221.09 Da
• Monoisotopic Mass: 221.09 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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