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Mal-PEG2-C2-Boc

CAT: 1410-M26980-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M26980-02Size:25 mg
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Description
Mal-PEG2-C2-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
1374666-31-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
313.35
Molecular Formula
C15H23NO6
Notes
Research use only, not for human use.
Receptor
Fungal

Chemical Information

Mal-PEG2-t-butyl ester
CAS Number1374666-31-5
PubChem CID77078455
IUPAC Nametert-butyl 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate
Molecular FormulaC15H23NO6
Molecular Weight313.35
XLogP0
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count22
Formal Charge0
Complexity420
SMILES
CC(C)(C)OC(=O)CCOCCOCCN1C(=O)C=CC1=O
InChI
InChI=1S/C15H23NO6/c1-15(2,3)22-14(19)6-8-20-10-11-21-9-7-16-12(17)4-5-13(16)18/h4-5H,6-11H2,1-3H3
InChIKey
XWPBPQDTQUEMBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG2-t-butyl ester
CAS: 1374666-31-5
CID: 77078455
Formula: C15H23NO6
MW: 313.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.35
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass313.15253745
Monoisotopic Mass313.15253745
Topological Polar Surface Area82.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity420
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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MBS3615590-01Mal-PEG2-C2-Boc
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