Benzyl-PEG4-acid - ≥98% , CAS No.127457-64-1

CAS: 127457-64-1 Cat. No.: B596603 Peso molecular: 312.4 PubChem CID: 14462373

GRADE & PURITY ≥98%

Synonyms

AS-56800 | DTXSID801246087 | W16658 | SCHEMBL24207916 | CFA45764 | 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid | 14-Phenyl-4,7,10,13-tetraoxatetradecanoic acid | 1-Phenyl-2,5,8,11-tetraoxatetradecan-14-oic acid | BP-23829 | SB67148 | Benzy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Benzyl-PEG4-acid is a PEG derivative containing a benzyl protecting group and a carboxylic acid group. Benzyl is an alcohol protecting group and can be removed via hydrogenolysis. The carboxylic acid group can react with primary amine groups in the presence of activators such as EDC or DCC to form a stable amide bond.

Specifications

Sinónimos

AS-56800 | DTXSID801246087 | W16658 | SCHEMBL24207916 | CFA45764 | 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid | 14-Phenyl-4, 7, 10, 13-tetraoxatetradecanoic acid | 1-Phenyl-2, 5, 8, 11-tetraoxatetradecan-14-oic acid | BP-23829 | SB67148 | Benzy

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: C1=CC=C(C=C1)COCCOCCOCCOCCC(=O)O
• IUPAC Name: 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
• InChIKey: FGLPTVPWFDQWFM-UHFFFAOYSA-N
• INCHI: 1S/C16H24O6/c17-16(18)6-7-19-8-9-20-10-11-21-12-13-22-14-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,17,18)
• Isómeros SMILES: C1=CC=C(C=C1)COCCOCCOCCOCCC(=O)O
• PubChem CID: 14462373
• Peso molecular: 312.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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: 312.360 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 312.157 Da
• Monoisotopic Mass: 312.157 Da
• Topological Polar Surface Area: 74.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 265.000
• 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