m-PEG6-Mal - ≥98% , CAS No.1644231-07-1

CAS: 1644231-07-1 Cat. No.: M596815 분자식: C₂₀H₃₄N₂O₉ 분자량: 446.5 PubChem CID: 77078254

등급 & 순도 ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

개요

m-PEG6-Mal is a PEG derivative containing a maleimide group. The maleimide group will react with a thiol group to form a covalent bond, enabling the connection of biomolecule with a thiol. The hydrophilic PEG spacer increases solubility in aqueous media.

사양

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

정식 스마일

COCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O

IUPAC Name

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

InChIKey

BPYWOIZSFVKCGV-UHFFFAOYSA-N

INCHI

1S/C20H34N2O9/c1-26-8-9-28-12-13-30-16-17-31-15-14-29-11-10-27-7-5-21-18(23)4-6-22-19(24)2-3-20(22)25/h2-3H,4-17H2,1H3,(H,21,23)

이성체 SMILES

COCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O

PubChem CID

77078254

분자량

446.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Maleimides
• Alternative Parents: N-substituted carboxylic acid imides Pyrrolines Dicarboximides Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Maleimide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrroline - Secondary carboxylic acid amide - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as maleimides. These are compounds containing a 2,5-pyrroledione moiety.
• 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

화학 및 물리적 특성

• 분자량: 446.500 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 21
• Exact Mass: 446.226 Da
• Monoisotopic Mass: 446.226 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 525.000
• 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