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Acid-PEG4-S-S-PEG4-acid

CAT: 0931-T14107-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T14107-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055015-40-0
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
Acid-PEG4-S-S-PEG4-acid, a polyethylene glycol (PEG) -based PROTAC linker, is a crucial component in PROTAC synthesis.
Smiles
OC(=O)CCOCCOCCOCCOCCSSCCOCCOCCOCCOCCC(O)=O
Molecular Formula
C22H42O12S2
Molecular Weight
562.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acid-PEG4-S-S-PEG4-Acid
CAS Number2055015-40-0
PubChem CID91809456
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC22H42O12S2
Molecular Weight562.7
XLogP-1.3
Topological Polar Surface Area199
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count31
Heavy Atom Count36
Formal Charge0
Complexity446
SMILES
C(COCCOCCOCCOCCSSCCOCCOCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C22H42O12S2/c23-21(24)1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-22(25)26/h1-20H2,(H,23,24)(H,25,26)
InChIKey
GRXXQSGPDQBZKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acid-PEG4-S-S-PEG4-Acid
CAS: 2055015-40-0
CID: 91809456
Formula: C22H42O12S2
MW: 562.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.7
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count31
Exact Mass562.21176912
Monoisotopic Mass562.21176912
Topological Polar Surface Area199 Ų
Heavy Atom Count36
Formal Charge0
Complexity446
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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Alternative Products

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HY-W190940Biotin-PEG4-S-S-acid
HY-141159A(S) -TCO-PEG4-acid
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HY-W190956-01(S, R, S) -AHPC-PEG4-acid
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