Mal-PEG24-NHS ester - ≥98% , CAS No.2226733-37-3

CAS: 2226733-37-3 Cat. No.: M1295155 Molecular Weight: 1394.55

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: GRDUWUCYIIEBIS-UHFFFAOYSA-N
• INCHI: 1S/C62H111N3O31/c66-57(5-8-64-58(67)1-2-59(64)68)63-7-10-73-12-14-75-16-18-77-20-22-79-24-26-81-28-30-83-32-34-85-36-38-87-40-42-89-44-46-91-48-50-93-52-54-95-56-55-94-53-51-92-49-47-90-45-43-88-41-39-86-37-35-84-33-31-82-29-27-80-25-23-78-21-19-76-17-15-74-13-11-72-9-6-62(71)96-65-60(69)3-4-61(65)70/h1-2H,3-56H2,(H,63,66)
• Molecular Weight: 1394.55

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: Maleimides
• Alternative Parents: Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrrolines Dicarboximides Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Maleimide - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrroline - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 1394.500 g/mol
• XLogP3: -5.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 80
• Exact Mass: 1393.72 Da
• Monoisotopic Mass: 1393.72 Da
• Topological Polar Surface Area: 352.000 Ų
• Heavy Atom Count: 96
• Formal Charge: 0
• Complexity: 1810.000
• 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