Fmoc-PEG6-NHS ester - ≥98% , CAS No.1818294-31-3

CAS: 1818294-31-3 Cat. No.: F595502 Molecular Weight: 672.7 PubChem CID: 77078440

GRADE & PURITY ≥98%

Synonyms

HY-126882 | 2,5-dioxopyrrolidin-1-yl 1-(9H-fluoren-9-yl)-3-oxo-2,7,10,13,16,19,22-heptaoxa-4-azapentacosan-25-oate | FMOC-PEG6-NHSESTER | BP-21633 | DTXSID601107912 | C70320 | 5,8,11,14,17,20-Hexaoxa-2-azatricosanedioic acid, 23-(2,5-dioxo-1-pyrrolidinyl)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

Fmoc-PEG6-NHS ester is a PEG derivative containing an Fmoc-protected amine and an NHS ester. The hydrophilic PEG spacer increases solubility in aqueous media. The Fmoc group can be deprotected under basic condition to obtain the free amine which can be used for further conjugations. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules.

Specifications

Synonyms

HY-126882 | 2, 5-dioxopyrrolidin-1-yl 1-(9H-fluoren-9-yl)-3-oxo-2, 7, 10, 13, 16, 19, 22-heptaoxa-4-azapentacosan-25-oate | FMOC-PEG6-NHSESTER | BP-21633 | DTXSID601107912 | C70320 | 5, 8, 11, 14, 17, 20-Hexaoxa-2-azatricosanedioic acid, 23-(2, 5-dioxo-1-pyrrolidinyl)

Specifications & Purity

≥98%

Storage

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: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChIKey: KFJXLDJJJJQTGL-UHFFFAOYSA-N
• INCHI: 1S/C34H44N2O12/c37-31-9-10-32(38)36(31)48-33(39)11-13-41-15-17-43-19-21-45-23-24-46-22-20-44-18-16-42-14-12-35-34(40)47-25-30-28-7-3-1-5-26(28)27-6-2-4-8-29(27)30/h1-8,30H,9-25H2,(H,35,40)
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• Alternate CAS: 1818294-31-3
• PubChem CID: 77078440
• Molecular Weight: 672.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Carbamate esters Lactams Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Carbamic acid ester - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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: 672.700 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 26
• Exact Mass: 672.289 Da
• Monoisotopic Mass: 672.289 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 946.000
• 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