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PEG3-bis (phosphonic acid diethyl ester)

CAT: 0804-HY-141321Size: 1 EachDry Ice: NoHazardous: No
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Description
PEG3-bis (phosphonic acid diethyl ester) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1807539-03-2
UNSPSC
12352211
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/peg3-bis-phosphonic-acid-diethyl-ester.html
Solubility
10 mM in DMSO
Smiles
O=P(OCC)(OCC)OCCOCCOCCOP(OCC)(OCC)=O
Molecular Formula
C14H32O10P2
Molecular Weight
422.35
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

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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