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M-PEG5-nitrile

CAT: 0013-GTR19226429-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226429-02Size:500 mg
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Description
M-PEG5-nitrile is a polyethylene glycol (PEG) linker used in constructing PROTAC molecules for targeted protein degradation research. It connects a target-binding warhead to an E3 ligase ligand, facilitating the study of ubiquitin-proteasome system mechanisms in both cellular and in vivo models.
CAS Number
81836-41-1
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Smiles
N#CCCOCCOCCOCCOCCOC
Molecular Formula
C12H23NO5
Molecular Weight
261.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

m-PEG5-nitrile
CAS Number81836-41-1
PubChem CID121011752
IUPAC Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanenitrile
Molecular FormulaC12H23NO5
Molecular Weight261.31
XLogP-0.8
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count18
Formal Charge0
Complexity204
SMILES
COCCOCCOCCOCCOCCC#N
InChI
InChI=1S/C12H23NO5/c1-14-5-6-16-9-10-18-12-11-17-8-7-15-4-2-3-13/h2,4-12H2,1H3
InChIKey
SZUWOHFZIMGHKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG5-nitrile
CAS: 81836-41-1
CID: 121011752
Formula: C12H23NO5
MW: 261.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.31
XLogP3-0.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass261.15762283
Monoisotopic Mass261.15762283
Topological Polar Surface Area69.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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