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NHBoc-PEG3-CO-OBn

CAT: 0013-GTR19276887-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19276887-01Size:50 mg
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Description
NHBoc-PEG3-CO-OBn is a PROTAC linker utilized in the synthesis of PROTAC molecules.
CAS Number
1975173-67-1
Smiles
O=C (OC (C) (C) C) NCCOCCOCCOCCC (=O) OCC=1C=CC=CC1
Molecular Formula
C21H33NO7
Molecular Weight
411.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Boc-PEG3-benzyl ester
CAS Number1975173-67-1
PubChem CID123132103
IUPAC Namebenzyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC21H33NO7
Molecular Weight411.5
XLogP1.8
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Heavy Atom Count29
Formal Charge0
Complexity445
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C21H33NO7/c1-21(2,3)29-20(24)22-10-12-26-14-16-27-15-13-25-11-9-19(23)28-17-18-7-5-4-6-8-18/h4-8H,9-17H2,1-3H3,(H,22,24)
InChIKey
OFMYFALEFXJINF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Boc-PEG3-benzyl ester
CAS: 1975173-67-1
CID: 123132103
Formula: C21H33NO7
MW: 411.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass411.22570239
Monoisotopic Mass411.22570239
Topological Polar Surface Area92.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity445
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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