Bis-PEG9-acid - ≥98% , CAS No.1268488-70-5

CAS: 1268488-70-5 Cat. No.: B596571 Formula: C₂₂H₄₂O₁₃ Peso molecolare: 514.56

GRADE & PURITY ≥98%

Synonyms

4,7,10,13,16,19,22,25,28-Nonaoxahentriacontane-1,31-dioic acid

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Bis-PEG9-acid is a PEG derivative containing two terminal carboxylic acid groups. The hydrophilic PEG spacer increases solubility in aqueous media. The terminal carboxylic acids can be reacted with primary amine groups in the presence of activators (e.g. EDC, or DCC) to form a stable amide bond.

Specifications

Sinonimi

4,7,10,13,16,19,22,25,28-Nonaoxahentriacontane-1,31-dioic acid

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)C(=O)O
• IUPAC Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• InChIKey: MZPXCHJGEDEJHQ-UHFFFAOYSA-N
• INCHI: 1S/C22H42O13/c23-21(24)1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-20-18-34-16-14-32-12-10-30-8-6-28-4-2-22(25)26/h1-20H2,(H,23,24)(H,25,26)
• Isomeri SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)C(=O)O
• Peso molecolare: 514.56

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 514.600 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 30
• Exact Mass: 514.263 Da
• Monoisotopic Mass: 514.263 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 425.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1268488-70-5, the molecular formula is C22H42O13, and the molecular weight is 514.56 g/mol. InChIKey MZPXCHJGEDEJHQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.