N-Nonanoyl-N-methylglucamine - ≥99% , CAS No.85261-19-4

CAS: 85261-19-4 Cat. No.: N111687 Peso molecular: 335.44 Número EC: 617-694-1

GRADE & PURITY ≥99%

Synonyms

SCHEMBL61435 | N-Methyl-N-((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)nonanamide | 1-Deoxy-1-[methyl(nonanoyl)amino]hexitol | C16H33NO6 | N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]nonanamide | AS-55890 | nonanoyl-n-methylglucamine | DTXSI

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SCHEMBL61435 | N-Methyl-N-((2S, 3R, 4R, 5R)-2, 3, 4, 5, 6-pentahydroxyhexyl)nonanamide | 1-Deoxy-1-[methyl(nonanoyl)amino]hexitol | C16H33NO6 | N-methyl-N-[(2S, 3R, 4R, 5R)-2, 3, 4, 5, 6-pentakis(oxidanyl)hexyl]nonanamide | AS-55890 | nonanoyl-n-methylglucamine | DTXSI

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488188312
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188312
• Sonrisas canónicas: CCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O
• IUPAC Name: N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
• InChIKey: GCRLIVCNZWDCDE-SJXGUFTOSA-N
• INCHI: 1S/C16H33NO6/c1-3-4-5-6-7-8-9-14(21)17(2)10-12(19)15(22)16(23)13(20)11-18/h12-13,15-16,18-20,22-23H,3-11H2,1-2H3/t12-,13+,15+,16+/m0/s1
• Isómeros SMILES: CCCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• WGK Alemania: 3
• Peso molecular: 335.44
• Reaxy-Rn: 11545134
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11545134&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty amides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acyl amines
• Alternative Parents: Monosaccharides Tertiary carboxylic acid amides Secondary alcohols Polyols Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-amine - Monosaccharide - Tertiary carboxylic acid amide - Secondary alcohol - Carboxamide group - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.
• 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

Propiedades químicas y físicas

• Peso molecular: 335.440 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 335.231 Da
• Monoisotopic Mass: 335.231 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 315.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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