Acid-PEG4-t-butyl ester - ≥97% , CAS No.1835759-85-7

CAS: 1835759-85-7 Cat. No.: A596993 Molecular Weight: 350.40

GRADE & PURITY ≥97%

Synonyms

MFCD29042335 | 4,7,10,13-Tetraoxahexadecanedioic acid, 1-(1,1-dimethylethyl) ester | Acid-PEG4-t-butyl ester | BP-22933 | Acid-PEG4-tert-butyl Ester | 2,2-Dimethyl-4-oxo-3,7,10,13,16-pentaoxanonadecan-19-oicacid | Acid-PEG4-C2-Boc | 2,2-Dimethyl-4-oxo-3,7

Storage

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

Shipped In

Ice chest + Ice pads

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Overview

Acid-PEG4-t-butyl ester is a PEG derivative containing a t-butyl protected carboxyl group with a terminal carboxylic acid. 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. The hydrophilic PEG spacer increases solubility in aqueous media. The t-butyl protected carboxyl group can be deprotected under acidic conditions.

Specifications

Synonyms

MFCD29042335 | 4, 7, 10, 13-Tetraoxahexadecanedioic acid, 1-(1, 1-dimethylethyl) ester | Acid-PEG4-t-butyl ester | BP-22933 | Acid-PEG4-tert-butyl Ester | 2, 2-Dimethyl-4-oxo-3, 7, 10, 13, 16-pentaoxanonadecan-19-oicacid | Acid-PEG4-C2-Boc | 2, 2-Dimethyl-4-oxo-3, 7

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)CCOCCOCCOCCOCCC(=O)O
• IUPAC Name: 3-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• InChIKey: LXMHKDZTUDTSCT-UHFFFAOYSA-N
• INCHI: 1S/C16H30O8/c1-16(2,3)24-15(19)5-7-21-9-11-23-13-12-22-10-8-20-6-4-14(17)18/h4-13H2,1-3H3,(H,17,18)
• Isomeric SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCC(=O)O
• Molecular Weight: 350.40

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Solubility in Water, DMSO, DCM, DMF
• Sensitivity: light sensitive
• Molecular Weight: 350.400 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 17
• Exact Mass: 350.194 Da
• Monoisotopic Mass: 350.194 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 337.000
• 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