N-(Aminooxy-PEG3)-N-bis(PEG4-t-butyl ester) - ≥98% , CAS No.2112737-19-4

CAS: 2112737-19-4 Cat. No.: N596344 Peso molecular: 817 PubChem CID: 126961966

GRADE & PURITY ≥98%

Synonyms

HY-140446 | DTXSID601100259 | AKOS040742195 | 1,31-di-tert-butyl 16-[2-(2-{2-[2-(aminooxy)ethoxy]ethoxy}ethoxy)ethyl]-4,7,10,13,19,22,25,28-octaoxa-16-azahentriacontanedioate | 2112737-19-4 | N-(Aminooxy-PEG3)-N-bis(PEG4-t-butyl ester) | BP-23633 | MS-315

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Descripción general

N-(Aminooxy-PEG3)-N-bis(PEG4-t-butyl ester) is a branched PEG linker with aminooxy and t-butyl ester moieties. The aminooxy group can react with aldehyde to form an oxime bond. If a reductant is used, it will form a hydroxylamine linkage. The t-butyl ester group can be removed under acidic conditions. The hydrophilic PEG linkers increase the water solubility of the compound.

Specifications

Sinónimos

HY-140446 | DTXSID601100259 | AKOS040742195 | 1, 31-di-tert-butyl 16-[2-(2-{2-[2-(aminooxy)ethoxy]ethoxy}ethoxy)ethyl]-4, 7, 10, 13, 19, 22, 25, 28-octaoxa-16-azahentriacontanedioate | 2112737-19-4 | N-(Aminooxy-PEG3)-N-bis(PEG4-t-butyl ester) | BP-23633 | MS-315

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCON
• IUPAC Name: tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: IYGZVFXDQYOXTM-UHFFFAOYSA-N
• INCHI: 1S/C38H76N2O16/c1-37(2,3)55-35(41)7-12-43-17-22-48-27-29-50-24-19-45-14-9-40(11-16-47-21-26-52-31-32-53-33-34-54-39)10-15-46-20-25-51-30-28-49-23-18-44-13-8-36(42)56-38(4,5)6/h7-34,39H2,1-6H3
• Isómeros SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCON
• CAS alternativo: 2112737-19-4
• PubChem CID: 126961966
• Peso molecular: 817

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Trialkylamines Carboxylic acid esters Amino acids and derivatives Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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: 817.000 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 46
• Exact Mass: 816.519 Da
• Monoisotopic Mass: 816.519 Da
• Topological Polar Surface Area: 193.000 Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 820.000
• 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