Products for Research Use Only

Boc-NH-PEG12-CH2CH2COOH

CAT: 1410-M26921-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M26921-01Size:25 mg
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Description
Boc-NH-PEG12-CH2CH2COOH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
1415981-79-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
717.847
Molecular Formula
C32H63NO16
Notes
Research use only, not for human use.
Receptor
ERK| MAPK

Chemical Information

Boc-NH-PEG12-CH2CH2COOH
CAS Number1415981-79-1
PubChem CID51341057
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC32H63NO16
Molecular Weight717.8
XLogP-1.3
Topological Polar Surface Area186
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count41
Heavy Atom Count49
Formal Charge0
Complexity713
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C32H63NO16/c1-32(2,3)49-31(36)33-5-7-38-9-11-40-13-15-42-17-19-44-21-23-46-25-27-48-29-28-47-26-24-45-22-20-43-18-16-41-14-12-39-10-8-37-6-4-30(34)35/h4-29H2,1-3H3,(H,33,36)(H,34,35)
InChIKey
QMJVJXMTYZIZKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boc-NH-PEG12-CH2CH2COOH
CAS: 1415981-79-1
CID: 51341057
Formula: C32H63NO16
MW: 717.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight717.8
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count41
Exact Mass717.41468492
Monoisotopic Mass717.41468492
Topological Polar Surface Area186 Ų
Heavy Atom Count49
Formal Charge0
Complexity713
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