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M-PEG5-phosphonic acid ethyl ester

CAT: 0804-HY-141312Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-141312Size:1 Each
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Description
M-PEG5-phosphonic acid ethyl ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1807512-42-0
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/m-peg5-phosphonic-acid-ethyl-ester.html
Solubility
10 mM in DMSO
Smiles
COCCOCCOCCOCCOCCP(OCC)(OCC)=O
Molecular Formula
C15H33O8P
Molecular Weight
372.39
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

m-PEG5-phosphonic acid ethyl ester
CAS Number1807512-42-0
PubChem CID91809464
IUPAC Name1-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane
Molecular FormulaC15H33O8P
Molecular Weight372.39
XLogP-0.5
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count24
Formal Charge0
Complexity293
SMILES
CCOP(=O)(CCOCCOCCOCCOCCOC)OCC
InChI
InChI=1S/C15H33O8P/c1-4-22-24(16,23-5-2)15-14-21-13-12-20-11-10-19-9-8-18-7-6-17-3/h4-15H2,1-3H3
InChIKey
COMONJQWUBCUJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG5-phosphonic acid ethyl ester
CAS: 1807512-42-0
CID: 91809464
Formula: C15H33O8P
MW: 372.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.39
XLogP3-0.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass372.19130500
Monoisotopic Mass372.19130500
Topological Polar Surface Area81.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity293
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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