N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) - ≥95% , CAS No.2112732-01-9

CAS: 2112732-01-9 Cat. No.: N596312 Peso molecular: 519.58

GRADE & PURITY ≥95%

Synonyms

C70636 | methyl 3-(2-{N-[2-(3-methoxy-3-oxopropoxy)ethyl]-4,7,10,13-tetraoxahexadec-15-ynamido}ethoxy)propanoate | HY-140095 | 2112732-01-9 | DTXSID001110321 | BP-23587 | MS-29636 | 4,11,14,17,20-Pentaoxa-7-azatricos-22-ynoic acid, 7-[2-(3-methoxy-3-oxopr

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

227,228,229

Descripción general

N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) is a branched PEG derivative with a terminal propargyl group and two methyl esters. The propargyl group can be reacted with azide-bearing compounds or biomolecules via copper catalyzed azide-alkyne Click Chemistry to yield a stable triazole linkage. The methyl ester groups can be hydrolyzed, reduced, or substituted under specific conditions.

Specifications

Sinónimos

C70636 | methyl 3-(2-{N-[2-(3-methoxy-3-oxopropoxy)ethyl]-4, 7, 10, 13-tetraoxahexadec-15-ynamido}ethoxy)propanoate | HY-140095 | 2112732-01-9 | DTXSID001110321 | BP-23587 | MS-29636 | 4, 11, 14, 17, 20-Pentaoxa-7-azatricos-22-ynoic acid, 7-[2-(3-methoxy-3-oxopr

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

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: COC(=O)CCOCCN(CCOCCC(=O)OC)C(=O)CCOCCOCCOCCOCC#C
• IUPAC Name: methyl 3-[2-[2-(3-methoxy-3-oxopropoxy)ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]propanoate
• InChIKey: JCIALVYXFZVDJH-UHFFFAOYSA-N
• INCHI: 1S/C24H41NO11/c1-4-10-31-16-18-35-20-21-36-19-17-34-11-5-22(26)25(8-14-32-12-6-23(27)29-2)9-15-33-13-7-24(28)30-3/h1H,5-21H2,2-3H3
• Isómeros SMILES: COC(=O)CCOCCN(CCOCCC(=O)OC)C(=O)CCOCCOCCOCCOCC#C
• CAS alternativo: 2112732-01-9
• Peso molecular: 519.58

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: Tertiary carboxylic acid amides Methyl esters Haloacetylenes and derivatives Dialkyl ethers Acetylides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Methyl ester - Tertiary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Haloacetylene or derivatives - Acetylide - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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: 519.600 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 27
• Exact Mass: 519.268 Da
• Monoisotopic Mass: 519.268 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 594.000
• 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