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Bis-PEG4-sulfonic acid

CAT: 0013-GTR19226577Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226577Size:5 mg
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Description
Bis-PEG4-sulfonic acid 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 models through the ubiquitin-proteasome system.
CAS Number
1807539-08-7
Field of Research
Pharmacology & Drug Discovery
Smiles
OS (=O) (=O) CCOCCOCCOCCOCCS (O) (=O) =O
Molecular Formula
C10H22O10S2
Molecular Weight
366.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bis-PEG4-sulfonic acid
CAS Number1807539-08-7
PubChem CID102514853
IUPAC Name2-[2-[2-[2-(2-sulfoethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonic acid
Molecular FormulaC10H22O10S2
Molecular Weight366.4
XLogP-2.6
Topological Polar Surface Area162
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count22
Formal Charge0
Complexity403
SMILES
C(COCCOCCS(=O)(=O)O)OCCOCCS(=O)(=O)O
InChI
InChI=1S/C10H22O10S2/c11-21(12,13)9-7-19-5-3-17-1-2-18-4-6-20-8-10-22(14,15)16/h1-10H2,(H,11,12,13)(H,14,15,16)
InChIKey
URCFPXZEPHPAIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis-PEG4-sulfonic acid
CAS: 1807539-08-7
CID: 102514853
Formula: C10H22O10S2
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP3-2.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass366.06543924
Monoisotopic Mass366.06543924
Topological Polar Surface Area162 Ų
Heavy Atom Count22
Formal Charge0
Complexity403
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