N-(Boc-PEG3)-N-bis(PEG2-alcohol) - ≥97% , CAS No.2055042-60-7

CAS: 2055042-60-7 Cat. No.: N596176 Molecular Weight: 556.7 PubChem CID: 123132128

GRADE & PURITY ≥97%

Synonyms

tert-butyl (1-hydroxy-9-(2-(2-(2-hydroxyethoxy)ethoxy)ethyl)-3,6,12,15,18-pentaoxa-9-azaicosan-20-yl)carbamate | tert-butyl N-(20-hydroxy-12-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,6,9,15,18-pentaoxa-12-azaicosan-1-yl)carbamate | C70721 | AKOS040742229 | 5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

N-(Boc-PEG3)-N-bis(PEG2-alcohol) is a branched PEG linker with a Boc protecting group and two PEG2-alcohol branches connected to a central nitrogen. The Boc can be removed under acidic conditions. The hydroxyl groups can be reacted the further derivatize the compound. The hydrophilic PEG linkers increase the water solubility of the compound. Branched PEG linkers have increased conjugation efficiency.

Specifications

Synonyms

tert-butyl (1-hydroxy-9-(2-(2-(2-hydroxyethoxy)ethoxy)ethyl)-3, 6, 12, 15, 18-pentaoxa-9-azaicosan-20-yl)carbamate | tert-butyl N-(20-hydroxy-12-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3, 6, 9, 15, 18-pentaoxa-12-azaicosan-1-yl)carbamate | C70721 | AKOS040742229 | 5

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)NCCOCCOCCOCCN(CCOCCOCCO)CCOCCOCCO
• IUPAC Name: tert-butyl N-[2-[2-[2-[2-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• InChIKey: SIKSABZCKNLIQZ-UHFFFAOYSA-N
• INCHI: 1S/C25H52N2O11/c1-25(2,3)38-24(30)26-4-10-31-16-22-37-23-19-34-13-7-27(5-11-32-17-20-35-14-8-28)6-12-33-18-21-36-15-9-29/h28-29H,4-23H2,1-3H3,(H,26,30)
• Isomeric SMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCN(CCOCCOCCO)CCOCCOCCO
• Alternate CAS: 2055042-60-7
• PubChem CID: 123132128
• Molecular Weight: 556.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Dialkyl ethers
          • Level6 Polyethylene glycols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Dialkyl ethers
• Direct Parent: Polyethylene glycols
• Alternative Parents: Carbamate esters Trialkylamines Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Alcohols and polyols
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
• 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: 556.700 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 30
• Exact Mass: 556.357 Da
• Monoisotopic Mass: 556.357 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 492.000
• 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