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Boc-NH-PEG6-CH2COOH

CAT: 1410-M26925-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Boc-NH-PEG6-CH2COOH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
391684-36-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
439.502
Molecular Formula
C19H37NO10
Notes
Research use only, not for human use.
Receptor
Antifection| Apoptosis| COX| Mycobacterium tuberculosis| NF-κB| PKA| Wnt/β-catenin

Chemical Information

Boc-NH-PEG6-CH2COOH
CAS Number391684-36-9
PubChem CID99129380
IUPAC Name2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Molecular FormulaC19H37NO10
Molecular Weight439.5
XLogP-0.4
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Heavy Atom Count30
Formal Charge0
Complexity428
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C19H37NO10/c1-19(2,3)30-18(23)20-4-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17(21)22/h4-16H2,1-3H3,(H,20,23)(H,21,22)
InChIKey
ZKCDWMFMVAYYED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boc-NH-PEG6-CH2COOH
CAS: 391684-36-9
CID: 99129380
Formula: C19H37NO10
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Exact Mass439.24174638
Monoisotopic Mass439.24174638
Topological Polar Surface Area131 Ų
Heavy Atom Count30
Formal Charge0
Complexity428
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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