2-((Azido-PEG8-carbamoyl)methoxy)acetic acid - ≥98% , CAS No.846549-37-9

CAS: 846549-37-9 Cat. No.: A596293 Molecular Weight: 554.59 EC Number: 635-501-9

GRADE & PURITY ≥98%

Synonyms

2-{[(26-azido-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]methoxy}acetic acid | AS-72016 | 2-((Azido-PEG8-carbamoyl)methoxy)acetic acid | DTXSID00404781 | HY-140459 | N-(PEG)-COOH | N3-Peg7-cooh | SCHEMBL14787951 | BP-23562 | O-(2-Azidoethyl)-O-[

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

2-((Azido-PEG8-carbamoyl)methoxy)acetic acid is a PEG derivative containing an azide group with a terminal carboxylic acid. The hydrophilic PEG spacer increases solubility in aqueous media. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage. The terminal carboxylic acid can be reacted with primary amine groups in the presence of activators (e.g. EDC, or DCC) to form a stable amide bond.

Specifications

Synonyms

2-{[(26-azido-3, 6, 9, 12, 15, 18, 21, 24-octaoxahexacosan-1-yl)carbamoyl]methoxy}acetic acid | AS-72016 | 2-((Azido-PEG8-carbamoyl)methoxy)acetic acid | DTXSID00404781 | HY-140459 | N-(PEG)-COOH | N3-Peg7-cooh | SCHEMBL14787951 | BP-23562 | O-(2-Azidoethyl)-O-[

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(COCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)COCC(=O)O
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid
• InChIKey: WWDNBBVPYDZICO-UHFFFAOYSA-N
• INCHI: 1S/C22H42N4O12/c23-26-25-2-4-31-6-8-33-10-12-35-14-16-37-18-17-36-15-13-34-11-9-32-7-5-30-3-1-24-21(27)19-38-20-22(28)29/h1-20H2,(H,24,27)(H,28,29)
• Isomeric SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)COCC(=O)O
• WGK Germany: 3
• Molecular Weight: 554.59
• Reaxy-Rn: 9531174
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9531174&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Secondary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Secondary carboxylic acid amides
• Alternative Parents: Azo imides Azo compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo compound - Azo imide - Secondary carboxylic acid amide - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• 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

Chemical and Physical Properties

• Molecular Weight: 554.600 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 31
• Exact Mass: 554.28 Da
• Monoisotopic Mass: 554.28 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 597.000
• 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