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Propargyl-PEG4-sulfonic acid

CAT: 0013-GTR19226195-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226195-01Size:100 mg
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Description
Propargyl-PEG4-sulfonic acid is a bifunctional linker featuring a terminal alkyne and a sulfonate group, connected by a tetraethylene glycol spacer. It is primarily used in chemical biology and PROTAC development for constructing proteolysis-targeting chimeras via click chemistry, facilitating both in vitro and cellular research applications.
CAS Number
1817735-29-7
Field of Research
Pharmacology & Drug Discovery
Smiles
O=S (=O) (O) CCOCCOCCOCCOCC#C
Molecular Formula
C11H20O7S
Molecular Weight
296.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Propargyl-PEG4-sulfonic acid
CAS Number1817735-29-7
PubChem CID102514837
IUPAC Name2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanesulfonic acid
Molecular FormulaC11H20O7S
Molecular Weight296.34
XLogP-1.4
Topological Polar Surface Area99.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count19
Formal Charge0
Complexity338
SMILES
C#CCOCCOCCOCCOCCS(=O)(=O)O
InChI
InChI=1S/C11H20O7S/c1-2-3-15-4-5-16-6-7-17-8-9-18-10-11-19(12,13)14/h1H,3-11H2,(H,12,13,14)
InChIKey
WSJYOZNIORDONJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG4-sulfonic acid
CAS: 1817735-29-7
CID: 102514837
Formula: C11H20O7S
MW: 296.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.34
XLogP3-1.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass296.09297415
Monoisotopic Mass296.09297415
Topological Polar Surface Area99.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity338
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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