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Hydroxy-PEG12-Boc

CAT: 0931-T18035Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T18035Size:50 mg
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CAS Number
2388521-20-6
Target
PROTAC Linker
Related Pathways
PROTAC
Purity
0.9902
Bioactivity
Hydroxy-PEG12-Boc (Hydroxy-PEG12-T-Butyl Ester) is a PEG-based PROTAC linker. Hydroxy-PEG12-Boc can be used in the synthesis of PROTACs.
Smiles
C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)COCCC(OC(C)(C)C)=O
Molecular Formula
C31H62O15
Molecular Weight
674.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hydroxy-PEG12-t-butyl ester
CAS Number2388521-20-6
PubChem CID16211131
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC31H62O15
Molecular Weight674.8
XLogP-1.4
Topological Polar Surface Area157
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count40
Heavy Atom Count46
Formal Charge0
Complexity607
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C31H62O15/c1-31(2,3)46-30(33)4-6-34-8-10-36-12-14-38-16-18-40-20-22-42-24-26-44-28-29-45-27-25-43-23-21-41-19-17-39-15-13-37-11-9-35-7-5-32/h32H,4-29H2,1-3H3
InChIKey
UOOVFHUCPREVAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-PEG12-t-butyl ester
CAS: 2388521-20-6
CID: 16211131
Formula: C31H62O15
MW: 674.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight674.8
XLogP3-1.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count40
Exact Mass674.40887127
Monoisotopic Mass674.40887127
Topological Polar Surface Area157 Ų
Heavy Atom Count46
Formal Charge0
Complexity607
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