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Amino-PEG11-acid

CAT: 0931-T210435-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T210435-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1616426-12-0
Target
PROTAC Linker
Related Pathways
PROTAC
Bioactivity
Amino-PEG11-acid is a PROTAC linker classified under the PEG category. It is used for synthesizing PROTAC molecules.
Smiles
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
Molecular Formula
C25H51NO13
Molecular Weight
573.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Amino-PEG11-acid
CAS Number1616426-12-0
PubChem CID137346779
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC25H51NO13
Molecular Weight573.7
XLogP-5.1
Topological Polar Surface Area165
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count35
Heavy Atom Count39
Formal Charge0
Complexity477
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)O
InChI
InChI=1S/C25H51NO13/c26-2-4-30-6-8-32-10-12-34-14-16-36-18-20-38-22-24-39-23-21-37-19-17-35-15-13-33-11-9-31-7-5-29-3-1-25(27)28/h1-24,26H2,(H,27,28)
InChIKey
GDCVFOGCWAPRRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amino-PEG11-acid
CAS: 1616426-12-0
CID: 137346779
Formula: C25H51NO13
MW: 573.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight573.7
XLogP3-5.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count35
Exact Mass573.33604068
Monoisotopic Mass573.33604068
Topological Polar Surface Area165 Ų
Heavy Atom Count39
Formal Charge0
Complexity477
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