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Amino-PEG12-acid

CAT: 1410-M26881-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Amino-PEG12-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
1415408-69-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
617.73
Molecular Formula
C27H55NO14
Notes
Research use only, not for human use.
Receptor
NUDT5

Chemical Information

Amino-PEG12-Acid
CAS Number1415408-69-3
PubChem CID53433573
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC27H55NO14
Molecular Weight617.7
XLogP-5.3
Topological Polar Surface Area174
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count38
Heavy Atom Count42
Formal Charge0
Complexity521
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)O
InChI
InChI=1S/C27H55NO14/c28-2-4-32-6-8-34-10-12-36-14-16-38-18-20-40-22-24-42-26-25-41-23-21-39-19-17-37-15-13-35-11-9-33-7-5-31-3-1-27(29)30/h1-26,28H2,(H,29,30)
InChIKey
NLXRBQLQDLAFIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amino-PEG12-Acid
CAS: 1415408-69-3
CID: 53433573
Formula: C27H55NO14
MW: 617.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight617.7
XLogP3-5.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count38
Exact Mass617.36225543
Monoisotopic Mass617.36225543
Topological Polar Surface Area174 Ų
Heavy Atom Count42
Formal Charge0
Complexity521
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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