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Fmoc-NH-PEG12-CH2CH2COOH

CAT: 0013-GTR19216786-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216786-01Size:200 mg
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Description
Fmoc-NH-PEG12-CH2CH2COOH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs. (In Vitro) :PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins.
CAS Number
1952360-91-6
Purity
>98% (HPLC)
Smiles
O=C (OCC1C2=C (C3=C1C=CC=C3) C=CC=C2) NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC (O) =O
Molecular Formula
C42H65NO16
Molecular Weight
839.96
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(Fmoc-amino)-PEG12-C2-Carboxylic Acid
CAS Number1952360-91-6
PubChem CID11354871
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC42H65NO16
Molecular Weight840.0
XLogP0.8
Topological Polar Surface Area186
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count42
Heavy Atom Count59
Formal Charge0
Complexity976
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C42H65NO16/c44-41(45)9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-43-42(46)59-35-40-38-7-3-1-5-36(38)37-6-2-4-8-39(37)40/h1-8,40H,9-35H2,(H,43,46)(H,44,45)
InChIKey
JYNHRDJTWNEGJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Fmoc-amino)-PEG12-C2-Carboxylic Acid
CAS: 1952360-91-6
CID: 11354871
Formula: C42H65NO16
MW: 840.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight840.0
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count42
Exact Mass839.43033499
Monoisotopic Mass839.43033499
Topological Polar Surface Area186 Ų
Heavy Atom Count59
Formal Charge0
Complexity976
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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