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Mal-PEG5-Boc

CAT: 1410-M26981-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Mal-PEG5-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
2250216-91-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
445.509
Molecular Formula
C21H35NO9
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

Mal-PEG5-t-butyl ester
CAS Number2250216-91-0
PubChem CID134827750
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC21H35NO9
Molecular Weight445.5
XLogP-0.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Heavy Atom Count31
Formal Charge0
Complexity554
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChI
InChI=1S/C21H35NO9/c1-21(2,3)31-20(25)6-8-26-10-12-28-14-16-30-17-15-29-13-11-27-9-7-22-18(23)4-5-19(22)24/h4-5H,6-17H2,1-3H3
InChIKey
SSYMERMYTUXSGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG5-t-butyl ester
CAS: 2250216-91-0
CID: 134827750
Formula: C21H35NO9
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP3-0.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Exact Mass445.23118169
Monoisotopic Mass445.23118169
Topological Polar Surface Area110 Ų
Heavy Atom Count31
Formal Charge0
Complexity554
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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T18295-01Mal-PEG5-Boc
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