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Hydroxy-PEG5-Boc

CAT: 0804-HY-141202-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141202-01Size:500 mg
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Description
Hydroxy-PEG6-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
850090-09-4
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hydroxy-peg5-boc.html
Purity
99.09
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCCOCCO
Molecular Formula
C17H34O8
Molecular Weight
366.45
Precautions
H302, H315, H319, H335
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Hydroxy-PEG5-t-butyl ester
CAS Number850090-09-4
PubChem CID53486144
IUPAC Nametert-butyl 3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC17H34O8
Molecular Weight366.4
XLogP-0.4
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count25
Formal Charge0
Complexity304
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C17H34O8/c1-17(2,3)25-16(19)4-6-20-8-10-22-12-14-24-15-13-23-11-9-21-7-5-18/h18H,4-15H2,1-3H3
InChIKey
SNYKXOAOLAFMRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy-PEG5-t-butyl ester
CAS: 850090-09-4
CID: 53486144
Formula: C17H34O8
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass366.22536804
Monoisotopic Mass366.22536804
Topological Polar Surface Area92.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity304
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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