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M-PEG12-NH-C2-acid

CAT: 0013-GTR19225475-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225475-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
M-PEG12-NH-C2-acid is a flexible, hydrophilic PEG linker used to construct PROTAC molecules for targeted protein degradation. It connects an E3 ligase ligand to a protein-of-interest ligand, enabling the study of protein function in both cellular and in vivo models through the ubiquitin-proteasome system.
CAS Number
1949843-39-3
Field of Research
Pharmacology & Drug Discovery
Smiles
COCCOCCNCCC (O) =O
Molecular Formula
C8H17NO4
Molecular Weight
191.227
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

m-PEG12-NH-C2-acid
CAS Number1949843-39-3
PubChem CID137334060
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propanoic acid
Molecular FormulaC28H57NO14
Molecular Weight631.7
XLogP-4.8
Topological Polar Surface Area160
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count39
Heavy Atom Count43
Formal Charge0
Complexity536
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNCCC(=O)O
InChI
InChI=1S/C28H57NO14/c1-32-6-7-34-10-11-36-14-15-38-18-19-40-22-23-42-26-27-43-25-24-41-21-20-39-17-16-37-13-12-35-9-8-33-5-4-29-3-2-28(30)31/h29H,2-27H2,1H3,(H,30,31)
InChIKey
KWNFYHANXNFDOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG12-NH-C2-acid
CAS: 1949843-39-3
CID: 137334060
Formula: C28H57NO14
MW: 631.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight631.7
XLogP3-4.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count39
Exact Mass631.37790549
Monoisotopic Mass631.37790549
Topological Polar Surface Area160 Ų
Heavy Atom Count43
Formal Charge0
Complexity536
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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