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T-Boc-Aminooxy-PEG4-NHS ester

CAT: 0931-T18741-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T18741-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2401831-99-8
Target
PROTAC Linker, Others
Related Pathways
Others, PROTAC
Bioactivity
T-Boc-Aminooxy-PEG4-NHS ester is a polyethylene glycol (PEG) derivative that functions as a linker for PROTAC synthesis [1].
Smiles
O=C(OC(C)(C)C)NOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Molecular Formula
C20H34N2O11
Molecular Weight
478.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

t-Boc-Aminooxy-PEG4-NHS ester
CAS Number2401831-99-8
PubChem CID145714645
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC20H34N2O11
Molecular Weight478.5
XLogP-0.7
Topological Polar Surface Area148
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count33
Formal Charge0
Complexity606
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C20H34N2O11/c1-20(2,3)32-19(26)21-31-15-14-30-13-12-29-11-10-28-9-8-27-7-6-18(25)33-22-16(23)4-5-17(22)24/h4-15H2,1-3H3,(H,21,26)
InChIKey
VNCXPIZEFLGDMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of t-Boc-Aminooxy-PEG4-NHS ester
CAS: 2401831-99-8
CID: 145714645
Formula: C20H34N2O11
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass478.21625990
Monoisotopic Mass478.21625990
Topological Polar Surface Area148 Ų
Heavy Atom Count33
Formal Charge0
Complexity606
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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