Products for Research Use Only

DSPE-PEG8-Mal

CAT: 0013-GTR19225608-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225608-01Size:100 mg
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Description
DSPE-PEG8-Mal is a heterobifunctional PEG linker used to construct PROTAC molecules for targeted protein degradation. It connects a target-binding ligand to an E3 ligase recruiter, enabling the study of protein function in both cellular and animal models through the ubiquitin-proteasome system.
CAS Number
2112737-94-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (COCCOCCOCCOCCOCCOCCOCCOCCC (NCCOP (OC[C@H] (OC (CCCCCCCCCCCCCCCCC) =O) COC (CCCCCCCCCCCCCCCCC) =O) (=O) O) =O) N1C (=O) C=CC1=O
Molecular Formula
C64H119N2O19P
Molecular Weight
1251.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DSPE-PEG8-Mal
CAS Number2112737-94-5
PubChem CID129009588
IUPAC Name[(2R)-3-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Molecular FormulaC64H119N2O19P
Molecular Weight1251.6
XLogP13
Topological Polar Surface Area249
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count71
Heavy Atom Count86
Formal Charge0
Complexity1660
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C64H119N2O19P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-63(70)82-57-59(85-64(71)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58-84-86(72,73)83-41-38-65-60(67)37-40-74-43-45-76-47-49-78-51-53-80-55-56-81-54-52-79-50-48-77-46-44-75-42-39-66-61(68)35-36-62(66)69/h35-36,59H,3-34,37-58H2,1-2H3,(H,65,67)(H,72,73)/t59-/m1/s1
InChIKey
DWLVJCKBUSIFBB-OBEXFZABSA-N
Chemical Structure
2D Structure
2D structure of DSPE-PEG8-Mal
CAS: 2112737-94-5
CID: 129009588
Formula: C64H119N2O19P
MW: 1251.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1251.6
XLogP313
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count71
Exact Mass1250.81446657
Monoisotopic Mass1250.81446657
Topological Polar Surface Area249 Ų
Heavy Atom Count86
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes