Bis-PEG7-NHS ester - ≥98% , CAS No.1334170-02-3

CAS: 1334170-02-3 Cat. No.: B595326 Molecular Weight: 620.6 PubChem CID: 53486139

GRADE & PURITY ≥98%

Synonyms

MFCD18916987 | C70582 | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate | DTXSID901122418 | GS-9521 | AKOS030213626 | HY-126890 | BP-20430 | bis(2,5-dioxopyr

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Bis-PEG7-NHS ester is a PEG derivative containing two NHS ester groups. The hydrophilic PEG spacer increases solubility in aqueous media. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules.

Specifications

Synonyms

MFCD18916987 | C70582 | (2, 5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[3-(2, 5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate | DTXSID901122418 | GS-9521 | AKOS030213626 | HY-126890 | BP-20430 | bis(2, 5-dioxopyr

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

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: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: QWDCSPQIVZTPRD-UHFFFAOYSA-N
• INCHI: 1S/C26H40N2O15/c29-21-1-2-22(30)27(21)42-25(33)5-7-35-9-11-37-13-15-39-17-19-41-20-18-40-16-14-38-12-10-36-8-6-26(34)43-28-23(31)3-4-24(28)32/h1-20H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
• PubChem CID: 53486139
• Molecular Weight: 620.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Lactams Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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: 620.600 g/mol
• XLogP3: -2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 28
• Exact Mass: 620.243 Da
• Monoisotopic Mass: 620.243 Da
• Topological Polar Surface Area: 192.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 798.000
• 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