N-(Azido-PEG2)-N-Boc-PEG4-acid - ≥98% , CAS No.2093153-82-1

CAS: 2093153-82-1 Cat. No.: N596263 Molecular Weight: 522.59

GRADE & PURITY ≥98%

Synonyms

N-(Azido-PEG2)-N-Boc-PEG4-acid | MS-29685 | 2093153-82-1 | HY-140525 | AKOS040742200 | DTXSID701107377 | C70167 | BP-23505 | 1-(13-azido-2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-5-yl)-3,6,9,12-tetraoxapentadecan-15-oic acid | 5,8,11,14-Tetraoxa-2-az

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

N-(Azido-PEG2)-N-Boc-PEG4-acid is a branched PEG derivative with a terminal azido group, Boc protected amino group, and a terminal carboxylic acid. The azide group enables PEGylation via Click Chemistry. The protected amine can be deprotected by acidic conditions. The terminal carboxylic acid can be reacted with primary amino groups in the presence of activators (e.g. EDC, or DCC) to form a stable amide bond.

Specifications

Synonyms

N-(Azido-PEG2)-N-Boc-PEG4-acid | MS-29685 | 2093153-82-1 | HY-140525 | AKOS040742200 | DTXSID701107377 | C70167 | BP-23505 | 1-(13-azido-2, 2-dimethyl-4-oxo-3, 8, 11-trioxa-5-azatridecan-5-yl)-3, 6, 9, 12-tetraoxapentadecan-15-oic acid | 5, 8, 11, 14-Tetraoxa-2-az

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

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: CC(C)(C)OC(=O)N(CCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCC(=O)O
• IUPAC Name: 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• InChIKey: BHUIQDKNHMQIER-UHFFFAOYSA-N
• INCHI: 1S/C22H42N4O10/c1-22(2,3)36-21(29)26(6-10-32-14-13-31-9-5-24-25-23)7-11-33-15-17-35-19-18-34-16-12-30-8-4-20(27)28/h4-19H2,1-3H3,(H,27,28)
• Isomeric SMILES: CC(C)(C)OC(=O)N(CCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCC(=O)O
• Alternate CAS: 2093153-82-1
• Molecular Weight: 522.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Organic carbonic acids and derivatives Organic azides Alkyl azides Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Organoazide - Alkyl azide - Carbonic acid derivative - Organic azide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
• 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

• Sensitivity: Light sensitive
• Molecular Weight: 522.600 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 26
• Exact Mass: 522.29 Da
• Monoisotopic Mass: 522.29 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 612.000
• 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