DSPE-PEG5-propargyl | 2112737-93-4

Product Introduction

DSPE-PEG8-propargyl is a PEG linker with attached DSPE and propargyl groups. The DSPE-PEGs have been FDA approved for medical applications. The hydrophobic properties of the DSPE allow for the encapsulation and congregation of other hydrophobic drugs. The hydrophilic PEG linker increases the water solubility of the overall compound allowing for the delivery of the drug. The hydrophilic PEG linker increases the water solubility of the compound. The propargyl group can react with azide-bearing compounds or biomolecules via copper catalyzed azide-alkyne Click Chemistry to yield a stable triazole linkage.

Chemical Information
Purity	98%
IUPAC Name	[(2R)-3-[hydroxy-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCOCCOCCOCCOCCOCC#C)OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI=1S/C55H104NO14P/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-54(58)67-50-52(70-55(59)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2)51-69-71(60,61)68-41-38-56-53(57)37-40-63-43-45-65-47-49-66-48-46-64-44-42-62-39-6-3/h3,52H,4-5,7-51H2,1-2H3,(H,56,57)(H,60,61)/t52-/m1/s1
InChI Key	TWBDHVREIJJEGS-OIVUAWODSA-N

Computed Properties
XLogP3	14.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	60
Exact Mass	1033.71944399 g/mol
Monoisotopic Mass	1033.71944399 g/mol
Topological Polar Surface Area	184Ų
Heavy Atom Count	71
Formal Charge	0
Complexity	1280
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes