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Azide-PEG3-Sulfone-PEG3-azide

CAT: 0931-T17469-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T17469-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055024-45-6
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
Azide-PEG3-Sulfone-PEG3-azide is a polyethylene glycol (PEG) -based bifunctional molecule, designed as a PROTAC linker for PROTAC synthesis [1].
Smiles
[N-]=[N+]=NCCOCCOCCOCCS(=O)(=O)CCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C16H32N6O8S
Molecular Weight
468.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azide-PEG3-Sulfone-PEG3-Azide
CAS Number2055024-45-6
PubChem CID123132153
IUPAC Name1-azido-2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]ethane
Molecular FormulaC16H32N6O8S
Molecular Weight468.5
XLogP0.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count24
Heavy Atom Count31
Formal Charge0
Complexity560
SMILES
C(COCCOCCOCCS(=O)(=O)CCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C16H32N6O8S/c17-21-19-1-3-25-5-7-27-9-11-29-13-15-31(23,24)16-14-30-12-10-28-8-6-26-4-2-20-22-18/h1-16H2
InChIKey
RBTZRBCQVZHOFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azide-PEG3-Sulfone-PEG3-Azide
CAS: 2055024-45-6
CID: 123132153
Formula: C16H32N6O8S
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count24
Exact Mass468.20023317
Monoisotopic Mass468.20023317
Topological Polar Surface Area127 Ų
Heavy Atom Count31
Formal Charge0
Complexity560
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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