TCO-PEG4-NHS (contains 6% Dichloromethane at maximum) - ≥90%(HPLC) , CAS No.1621096-79-4

CAS: 1621096-79-4 Cat. No.: T405116 Molecular Weight: 514.57 EC Number: 881-611-7 PubChem CID: 118338101

GRADE & PURITY ≥90%(HPLC)

Synonyms

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate | (4E)-TCO-PEG4-NHS ester | BS-44580 | SCHEMBL17041885 | 2,5-Dioxopyrrolidin-1-yl 1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11,14-tetraoxa

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(2, 5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate | (4E)-TCO-PEG4-NHS ester | BS-44580 | SCHEMBL17041885 | 2, 5-Dioxopyrrolidin-1-yl 1-(cyclooct-4-en-1-yloxy)-1-oxo-5, 8, 11, 14-tetraoxa

Specifications & Purity

≥90%(HPLC)

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

≥90%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: ZKPMRASGLDBKPF-UPHRSURJSA-N
• INCHI: 1S/C24H38N2O10/c27-21-8-9-22(28)26(21)36-23(29)10-12-31-14-16-33-18-19-34-17-15-32-13-11-25-24(30)35-20-6-4-2-1-3-5-7-20/h1-2,20H,3-19H2,(H,25,30)/b2-1-
• Isomeric SMILES: C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
• Alternate CAS: 1613439-69-2
• PubChem CID: 118338101
• Molecular Weight: 514.57

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: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Carbamate esters Organic carbonic acids and derivatives Carboxylic acid salts Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Carbamic acid ester - Dicarboximide - Carbonic acid derivative - Carboxylic acid salt - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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,Moisture Sensitive,Heat Sensitive
• Molecular Weight: 514.600 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 19
• Exact Mass: 514.253 Da
• Monoisotopic Mass: 514.253 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 699.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1