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Bromo-PEG3-phosphonic acid diethyl ester

CAT: 0931-T14800-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T14800-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1148026-98-5
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
Bromo-PEG3-phosphonic acid diethyl ester is a polyethylene glycol (PEG) derivative widely used as a linker in the assembly of proteolysis targeting chimeras (PROTACs) [1].
Smiles
O=P(OCC)(OCC)CCOCCOCCOCCBr
Molecular Formula
C12H26BrO6P
Molecular Weight
377.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bromo-PEG3-phosphonic acid diethyl ester
CAS Number1148026-98-5
PubChem CID46779112
IUPAC Name1-[2-(2-bromoethoxy)ethoxy]-2-(2-diethoxyphosphorylethoxy)ethane
Molecular FormulaC12H26BrO6P
Molecular Weight377.21
XLogP0.5
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity244
SMILES
CCOP(=O)(CCOCCOCCOCCBr)OCC
InChI
InChI=1S/C12H26BrO6P/c1-3-18-20(14,19-4-2)12-11-17-10-9-16-8-7-15-6-5-13/h3-12H2,1-2H3
InChIKey
WDIGPIACFQMAGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromo-PEG3-phosphonic acid diethyl ester
CAS: 1148026-98-5
CID: 46779112
Formula: C12H26BrO6P
MW: 377.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight377.21
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass376.06504
Monoisotopic Mass376.06504
Topological Polar Surface Area63.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity244
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