t-Boc-N-amido-PEG2-NHS ester - ≥98% , CAS No.2183440-73-3

CAS: 2183440-73-3 Cat. No.: T595338 Molecular Weight: 374.4 PubChem CID: 23591747

GRADE & PURITY ≥98%

Synonyms

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoate | AT17276 | 2,5-dioxopyrrolidin-1-yl 3-[2-(2-{[(tert-butoxy)carbonyl]amino}ethoxy)ethoxy]propanoate | 3-[2-(2-tert-Butoxycarbonylamino-ethoxy)-ethoxy]-propi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

t-Boc-N-amido-PEG2-NHS ester is a PEG derivative containing an NHS ester and a t-Boc protected amine group. The hydrophilic PEG spacer increases the solubility of compounds in aqueous media. The t-Boc group can be deprotected under mild acidic conditions to form a free amine. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules.

Specifications

Synonyms

(2, 5-dioxopyrrolidin-1-yl) 3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoate | AT17276 | 2, 5-dioxopyrrolidin-1-yl 3-[2-(2-{[(tert-butoxy)carbonyl]amino}ethoxy)ethoxy]propanoate | 3-[2-(2-tert-Butoxycarbonylamino-ethoxy)-ethoxy]-propi

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: CC(C)(C)OC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoate
• InChIKey: FNZXIPYAXFROBS-UHFFFAOYSA-N
• INCHI: 1S/C16H26N2O8/c1-16(2,3)25-15(22)17-7-9-24-11-10-23-8-6-14(21)26-18-12(19)4-5-13(18)20/h4-11H2,1-3H3,(H,17,22)
• Isomeric SMILES: CC(C)(C)OC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O
• PubChem CID: 23591747
• Molecular Weight: 374.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Carbamate esters Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Carbamic acid ester - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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 DCM
• Molecular Weight: 374.390 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 374.169 Da
• Monoisotopic Mass: 374.169 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 499.000
• 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