Ald-CH2-PEG4-t-butyl ester - ≥95% , CAS No.1415329-20-2

CAS: 1415329-20-2 Cat. No.: A597039 Peso molecular: 320.4 PubChem CID: 77078409

GRADE & PURITY ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Ald-CH2-PEG4-t-butyl ester is a PEG derivative containing aldehyde and a t-butyl ester. Aldehyde groups are likely to undergo nucleophile substitution, reduction and oxidation reactions. The t-butyl ester can be removed under acidic conditions and can further be reacted. The hydrophilic PEG linker increases the compound's water solubility in aqueous media. The hydrophilic properties of the compound are improved with longer PEG chains.

Specifications

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)CCOCCOCCOCCOCC=O
• IUPAC Name: tert-butyl 3-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: SCAAICMVIUVGGM-UHFFFAOYSA-N
• INCHI: 1S/C15H28O7/c1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h5H,4,6-13H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCC=O
• PubChem CID: 77078409
• Peso molecular: 320.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

Propiedades químicas y físicas

• Peso molecular: 320.380 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 16
• Exact Mass: 320.184 Da
• Monoisotopic Mass: 320.184 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 286.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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