Hydroxy-PEG2-CH2COOH , CAS No.51951-04-3

CAS: 51951-04-3 Cat. No.: H412713 Peso molecular: 164.16 Número EC: 846-675-2

Synonyms

BP-28015 | HO-PEG-acid, MW 3,500 | Q27466129 | HO-PEG-acid, MW 10K | BP-26033 | NSC167745 | BCA95104 | HO-PEG-acid, MW 10,000 | [2-(2-Hydroxyethoxy)ethoxy]acetic Acid | C70220 | Hydroxy-PEG2-CH2COOH | 2-(2-(2-hydroxyethoxy)ethoxy)acetic acid | Acetic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Descripción general

Information

Hydroxy-PEG2-CH2COOH is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Specifications

Sinónimos

BP-28015 | HO-PEG-acid, MW 3, 500 | Q27466129 | HO-PEG-acid, MW 10K | BP-26033 | NSC167745 | BCA95104 | HO-PEG-acid, MW 10, 000 | [2-(2-Hydroxyethoxy)ethoxy]acetic Acid | C70220 | Hydroxy-PEG2-CH2COOH | 2-(2-(2-hydroxyethoxy)ethoxy)acetic acid | Acetic acid

Mecanismos bioquímicos y fisiológicos

Hydroxy-PEG2-CH2COOH is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

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.

Nombres e identificadores

• Sonrisas canónicas: C(COCCOCC(=O)O)O
• IUPAC Name: 2-[2-(2-hydroxyethoxy)ethoxy]acetic acid
• InChIKey: PRBXPAHXMGDVNQ-UHFFFAOYSA-N
• INCHI: 1S/C6H12O5/c7-1-2-10-3-4-11-5-6(8)9/h7H,1-5H2,(H,8,9)
• Isómeros SMILES: C(COCCOCC(=O)O)O
• Peso molecular: 164.16
• Reaxy-Rn: 8310654
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8310654&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

• Solubilidad: Solubility (25°C) In vitro
• Peso molecular: 164.160 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 164.068 Da
• Monoisotopic Mass: 164.068 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 103.000
• 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