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M-PEG5-sulfonic acid

CAT: 0804-HY-140171Size: 1 EachDry Ice: NoHazardous: No
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Description
M-PEG5-sulfonic acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1807505-35-6
UNSPSC
12352100
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/m-peg5-sulfonic-acid.html
Solubility
10 mM in DMSO
Smiles
COCCOCCOCCOCCOCCS(=O)(O)=O
Molecular Formula
C11H24O8S
Molecular Weight
316.37
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

m-PEG5-sulfonic acid
CAS Number1807505-35-6
PubChem CID102514839
IUPAC Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonic acid
Molecular FormulaC11H24O8S
Molecular Weight316.37
XLogP-1.6
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity287
SMILES
COCCOCCOCCOCCOCCS(=O)(=O)O
InChI
InChI=1S/C11H24O8S/c1-15-2-3-16-4-5-17-6-7-18-8-9-19-10-11-20(12,13)14/h2-11H2,1H3,(H,12,13,14)
InChIKey
ZWHMRCZZWNHUNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG5-sulfonic acid
CAS: 1807505-35-6
CID: 102514839
Formula: C11H24O8S
MW: 316.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight316.37
XLogP3-1.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass316.11918889
Monoisotopic Mass316.11918889
Topological Polar Surface Area109 Ų
Heavy Atom Count20
Formal Charge0
Complexity287
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