HO-PEG₁₀-CH₂CH₂COOtBu - ≥98% , CAS No.778596-26-2

CAS: 778596-26-2 Cat. No.: H122155 Molecular Weight: 586.71

GRADE & PURITY ≥98%

Synonyms

tert-Butyl 1-hydroxy-3,6,9,12,15,18,21,24,27,30-decaoxatritriacontan-33-oate | Hydroxy-PEG10-Boc | OH-PEG10-TBA | Hydroxy-PEG10-t-butyl ester | HO-PEG10-tBu

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Hydroxy-PEG10-Boc is a uncleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). Hydroxy-PEG10-Boc can be conjugated to Paclitaxel or docetaxel.

Specifications

Synonyms

tert-Butyl 1-hydroxy-3, 6, 9, 12, 15, 18, 21, 24, 27, 30-decaoxatritriacontan-33-oate | Hydroxy-PEG10-Boc | OH-PEG10-TBA | Hydroxy-PEG10-t-butyl ester | HO-PEG10-tBu

Specifications & Purity

≥98%

Storage

Protected from light, 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)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
• IUPAC Name: tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: AEEGJXDZOJNBIY-UHFFFAOYSA-N
• INCHI: 1S/C27H54O13/c1-27(2,3)40-26(29)4-6-30-8-10-32-12-14-34-16-18-36-20-22-38-24-25-39-23-21-37-19-17-35-15-13-33-11-9-31-7-5-28/h28H,4-25H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
• Molecular Weight: 586.71
• Reaxy-Rn: 9824903
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9824903&ln=

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: Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Primary alcohol - 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

• Sensitivity: Light sensitive
• Molecular Weight: 586.700 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 34
• Exact Mass: 586.356 Da
• Monoisotopic Mass: 586.356 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 517.000
• 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