Products for Research Use Only

DSPE-PEG2-mal

CAT: 0013-GTR19222339-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222339-01Size:100 mg
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Description
DSPE-PEG2-mal is a heterobifunctional PEG linker used to construct PROTAC molecules. It connects a target protein ligand to an E3 ligase ligand, enabling targeted protein degradation via the ubiquitin-proteasome system in both cellular and in vivo research applications.
CAS Number
1915739-87-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
CCCCCCCCCCCCCCCCCC (=O) OC[C@H] (COP (O) (=O) OCCNC (=O) CCOCCOCCNC (=O) CCN1C (=O) C=CC1=O) OC (=O) CCCCCCCCCCCCCCCCC |c:49|
Molecular Formula
C55H100N3O14P
Molecular Weight
1058.386
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DSPE-PEG2-mal
CAS Number1915739-87-5
PubChem CID156597073
IUPAC Name[(2R)-3-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Molecular FormulaC55H100N3O14P
Molecular Weight1058.4
XLogP13.1
Topological Polar Surface Area222
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count56
Heavy Atom Count73
Formal Charge0
Complexity1500
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C55H100N3O14P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-54(63)69-47-49(72-55(64)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)48-71-73(65,66)70-44-40-57-51(60)38-42-67-45-46-68-43-39-56-50(59)37-41-58-52(61)35-36-53(58)62/h35-36,49H,3-34,37-48H2,1-2H3,(H,56,59)(H,57,60)(H,65,66)/t49-/m1/s1
InChIKey
PFHIBVKYIUDMIC-ANFMRNGASA-N
Chemical Structure
2D Structure
2D structure of DSPE-PEG2-mal
CAS: 1915739-87-5
CID: 156597073
Formula: C55H100N3O14P
MW: 1058.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1058.4
XLogP313.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count56
Exact Mass1057.69429187
Monoisotopic Mass1057.69429187
Topological Polar Surface Area222 Ų
Heavy Atom Count73
Formal Charge0
Complexity1500
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