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PEG3-bis (phosphonic acid diethyl ester)

CAT: 0013-GTR19231613-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231613-01Size:100 mg
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Description
This polyethylene glycol (PEG) -based bisphosphonate ester linker is engineered for constructing proteolysis targeting chimeras (PROTACs) . It serves as a critical spacer to connect E3 ligase ligands with target protein binders, facilitating the development of degraders for both in vitro and in vivo research applications.
CAS Number
1807539-03-2
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=P (OCC) (OCC) OCCOCCOCCOP (=O) (OCC) OCC
Molecular Formula
C14H32O10P2
Molecular Weight
422.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[2-(2-Diethoxyphosphoryloxyethoxy)ethoxy]ethyl diethyl phosphate
CAS Number1807539-03-2
PubChem CID77078366
IUPAC Name2-[2-(2-diethoxyphosphoryloxyethoxy)ethoxy]ethyl diethyl phosphate
Molecular FormulaC14H32O10P2
Molecular Weight422.35
XLogP0
Topological Polar Surface Area108
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Heavy Atom Count26
Formal Charge0
Complexity363
SMILES
CCOP(=O)(OCC)OCCOCCOCCOP(=O)(OCC)OCC
InChI
InChI=1S/C14H32O10P2/c1-5-19-25(15,20-6-2)23-13-11-17-9-10-18-12-14-24-26(16,21-7-3)22-8-4/h5-14H2,1-4H3
InChIKey
WGTDVLYYVZBRNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-(2-Diethoxyphosphoryloxyethoxy)ethoxy]ethyl diethyl phosphate
CAS: 1807539-03-2
CID: 77078366
Formula: C14H32O10P2
MW: 422.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.35
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Exact Mass422.14707121
Monoisotopic Mass422.14707121
Topological Polar Surface Area108 Ų
Heavy Atom Count26
Formal Charge0
Complexity363
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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