endo-BCN-PEG4-t-butyl ester - ≥95% , CAS No.1807501-83-2

CAS: 1807501-83-2 Cat. No.: E595228 Molecular Weight: 497.6 PubChem CID: 91757930

GRADE & PURITY ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

endo-BCN-PEG4-t-butyl ester is a PEG derivative containing a BCN group and a t-butyl protected carboxyl group. The hydrophilic PEG spacer increases solubility in aqueous media. The BCN group can react with azide-tagged biomolecules. The protected carboxyl group (COOH) prevents self coupling or polymerization under standard acid/amine or acid/hydroxyl coupling conditions. The protected acid can be deprotected by acidic or basic hydrolysis.

Specifications

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)OCC1C2C1CCC#CCC2
• IUPAC Name: tert-butyl 3-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: BSCLHAMNOSOPKH-UHFFFAOYSA-N
• INCHI: 1S/C26H43NO8/c1-26(2,3)35-24(28)10-12-30-14-16-32-18-19-33-17-15-31-13-11-27-25(29)34-20-23-21-8-6-4-5-7-9-22(21)23/h21-23H,6-20H2,1-3H3,(H,27,29)
• Isomeric SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)OCC1C2C1CCC#CCC2
• PubChem CID: 91757930
• Molecular Weight: 497.6

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: Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homopolycyclic 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

• Solubility: Solubility in DMSO, DCM, DMF