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Acid-PEG4-S-PEG4-acid

CAT: 0931-T17355-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T17355-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055041-21-7
Target
PROTAC Linker, Others
Related Pathways
Others, PROTAC
Bioactivity
Acid-PEG4-S-PEG4-acid, a PEG-based linker for PROTACs, joins two essential ligands critical for forming PROTAC molecules and enables selective protein degradation through the ubiquitin-proteasome system within cells.
Smiles
O=C(O)CCOCCOCCOCCOCCSCCOCCOCCOCCOCCC(=O)O
Molecular Formula
C22H42O12S
Molecular Weight
530.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acid-PEG4-S-PEG4-Acid
CAS Number2055041-21-7
PubChem CID119058249
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC22H42O12S
Molecular Weight530.6
XLogP-1.3
Topological Polar Surface Area174
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count30
Heavy Atom Count35
Formal Charge0
Complexity430
SMILES
C(COCCOCCOCCOCCSCCOCCOCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C22H42O12S/c23-21(24)1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-20-18-34-16-14-32-12-10-30-8-6-28-4-2-22(25)26/h1-20H2,(H,23,24)(H,25,26)
InChIKey
GRGLDHQIGLRPHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acid-PEG4-S-PEG4-Acid
CAS: 2055041-21-7
CID: 119058249
Formula: C22H42O12S
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count30
Exact Mass530.23969794
Monoisotopic Mass530.23969794
Topological Polar Surface Area174 Ų
Heavy Atom Count35
Formal Charge0
Complexity430
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