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Boc-PEG5-methyl ester

CAT: 0013-GTR19222348-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222348-01Size:100 mg
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Description
Boc-PEG5-methyl ester is a polyethylene glycol (PEG) linker used to construct PROTAC molecules for targeted protein degradation. It connects a target-binding ligand to an E3 ligase recruiter, enabling the study of protein function in both cellular and in vivo research models via the ubiquitin-proteasome system.
CAS Number
1807530-04-6
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Smiles
COC (=O) CCOCCOCCOCCOCCOCCC (=O) OC (C) (C) C
Molecular Formula
C19H36O9
Molecular Weight
408.488
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Boc-PEG5-methyl ester
CAS Number1807530-04-6
PubChem CID77078228
IUPAC Namemethyl 3-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC19H36O9
Molecular Weight408.5
XLogP0.1
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count28
Formal Charge0
Complexity393
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCC(=O)OC
InChI
InChI=1S/C19H36O9/c1-19(2,3)28-18(21)6-8-24-10-12-26-14-16-27-15-13-25-11-9-23-7-5-17(20)22-4/h5-16H2,1-4H3
InChIKey
BJNQNORQYFJOCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boc-PEG5-methyl ester
CAS: 1807530-04-6
CID: 77078228
Formula: C19H36O9
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass408.23593272
Monoisotopic Mass408.23593272
Topological Polar Surface Area98.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity393
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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