N-(3-triethoxysilylpropyl)gluconamide - ≥95% , CAS No.104275-58-3

CAS: 104275-58-3 Cat. No.: N999132 Molecular Weight: 399.510

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCO[Si](CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)(OCC)OCC
• IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide
• InChIKey: RGFDUEXNZLUZGH-YIYPIFLZSA-N
• INCHI: 1S/C15H33NO9Si/c1-4-23-26(24-5-2,25-6-3)9-7-8-16-15(22)14(21)13(20)12(19)11(18)10-17/h11-14,17-21H,4-10H2,1-3H3,(H,16,22)/t11-,12-,13+,14-/m1/s1
• Molecular Weight: 399.510

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: N-acyl amines Monosaccharides Silyl ethers Secondary carboxylic acid amides Secondary alcohols Polyols Organoheterosilanes Organic metalloid salts Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkoxysilane - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Silyl ether - Polyol - Carboxylic acid derivative - Organoheterosilane - Organic metalloid salt - Alcohol - Carbonyl group - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
• 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: 399.510 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 15
• Exact Mass: 399.192 Da
• Monoisotopic Mass: 399.192 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 371.000
• 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

XLogP3