Desosamine - ≥95% , CAS No.5779-39-5

CAS: 5779-39-5 Cat. No.: D939201 PubChem CID: 168997

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

Canonical Smiles

CC(CC(C(C=O)O)N(C)C)O

IUPAC Name

(2R,3S,5R)-3-(dimethylamino)-2,5-dihydroxyhexanal

InChIKey

VTJCSBJRQLZNHE-CSMHCCOUSA-N

INCHI

1S/C8H17NO3/c1-6(11)4-7(9(2)3)8(12)5-10/h5-8,11-12H,4H2,1-3H3/t6-,7+,8+/m1/s1

Isomeric SMILES

C[C@H](C[C@@H]([C@H](C=O)O)N(C)C)O

Alternate CAS

5779-39-5

PubChem CID

168997

MeSH Entry Terms

D-desosamine;desosamine

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminosaccharides
• Alternative Parents: Monosaccharides Alpha-hydroxyaldehydes 1,3-aminoalcohols Trialkylamines Secondary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino saccharide - Monosaccharide - 1,3-aminoalcohol - Alpha-hydroxyaldehyde - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Amine - Aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as aminosaccharides. These are saccharides containing a sugar unit that bears an amino group.
• External Descriptors: amino sugar

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

• Molecular Weight: 175.230 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 175.121 Da
• Monoisotopic Mass: 175.121 Da
• Topological Polar Surface Area: 60.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 138.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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