N-Boc-PEG6-alcohol - ≥98% , CAS No.331242-61-6

CAS: 331242-61-6 Cat. No.: N595352 Molecular Weight: 381.46 EC Number: 886-544-7

GRADE & PURITY ≥98%

Synonyms

AS-49351 | TERT-BUTYL N-(17-HYDROXY-3,6,9,12,15-PENTAOXAHEPTADECAN-1-YL)CARBAMATE | AKOS030629978 | MFCD28385472 | tert-Butyl(17-hydroxy-3,6,9,12,15-pentaoxaheptadecyl)carbamate | Boc-NH-PEG6-oh | BocNH-PEG6-OH | EN300-7408991 | N-Boc-PEG6-alcohol | 17-(B

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

N-Boc-PEG6-alcohol is a PEG derivative containing a Boc protected amine group and a terminal hydroxyl group. The Boc protecting group can be removed under acidic conditions. The hydroxyl group can be reacted to further derivatize the compound. The hydrophilic PEG linker increases the water solubility of the compound.

Specifications

Synonyms

AS-49351 | TERT-BUTYL N-(17-HYDROXY-3, 6, 9, 12, 15-PENTAOXAHEPTADECAN-1-YL)CARBAMATE | AKOS030629978 | MFCD28385472 | tert-Butyl(17-hydroxy-3, 6, 9, 12, 15-pentaoxaheptadecyl)carbamate | Boc-NH-PEG6-oh | BocNH-PEG6-OH | EN300-7408991 | N-Boc-PEG6-alcohol | 17-(B

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)NCCOCCOCCOCCOCCOCCO
• IUPAC Name: tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• InChIKey: JJZYGSPDXUBTNO-UHFFFAOYSA-N
• INCHI: 1S/C17H35NO8/c1-17(2,3)26-16(20)18-4-6-21-8-10-23-12-14-25-15-13-24-11-9-22-7-5-19/h19H,4-15H2,1-3H3,(H,18,20)
• Isomeric SMILES: CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCO
• Molecular Weight: 381.46

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 Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Carbamic acid ester - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organonitrogen compound - Carbonyl group - 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

• Solubility: Solubility in DMSO, DCM, DMF
• Molecular Weight: 381.500 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 19
• Exact Mass: 381.236 Da
• Monoisotopic Mass: 381.236 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 322.000
• 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