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

CAS: 85261-19-4 Cat. No.: N111687 Molecular Weight: 335.44 EC Number: 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

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

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488188312
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188312
• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCCCC(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Fatty Acyls
      • Subclass Fatty amides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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