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DSPE-PEG2000-DBCO

CAT: 0013-GTR19178117-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19178117-01Size:100 mg
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Description
DSPE-PEG-DBCO ammonium is the ammonium salt form of DSPE-PEG-DBCO. DSPE-PEG-DBCO ammonium is utilized in copper-free click chemistry through SPAAC conjugation with an azido-functionalized peptide ligand. DSPE-PEG-DBCO ammonium is applied in drug-delivery and nanoparticle research.
CAS Number
2052955-83-4
Purity
>95%
Smiles
O=C (CCNC (CCOCCOC (NCCOP (OC[C@@] (OC (CCCCCCCCCCCCCCCCC) =O) ([H]) COC (CCCCCCCCCCCCCCCCC) =O) (O) =O) =O) =O) N1C2=CC=CC=C2C#CC3=CC=CC=C3C1.N.[n]
Molecular Formula
C151H279N4O56P
Molecular Weight
3077.839
Notes
For research use only.

Chemical Information

Dspe-peg-dbco
CAS Number2052955-83-4
PubChem CID172418659
IUPAC Nameazane;[(2R)-3-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxycarbonylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Molecular FormulaC65H110N5O13P
Molecular Weight1200.6
Topological Polar Surface Area207
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count54
Heavy Atom Count84
Formal Charge0
Complexity1810
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)OCCOCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31)OC(=O)CCCCCCCCCCCCCCCCC.N.N
InChI
InChI=1S/C65H104N3O13P.2H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41-63(71)78-54-59(81-64(72)42-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)55-80-82(74,75)79-50-48-67-65(73)77-52-51-76-49-46-61(69)66-47-45-62(70)68-53-58-39-34-33-37-56(58)43-44-57-38-35-36-40-60(57)68;;/h33-40,59H,3-32,41-42,45-55H2,1-2H3,(H,66,69)(H,67,73)(H,74,75);2*1H3/t59-;;/m1../s1
InChIKey
KYZXZEHMODFQLI-NJTUMMCTSA-N
Chemical Structure
2D Structure
2D structure of Dspe-peg-dbco
CAS: 2052955-83-4
CID: 172418659
Formula: C65H110N5O13P
MW: 1200.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1200.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count54
Exact Mass1199.78377558
Monoisotopic Mass1199.78377558
Topological Polar Surface Area207 Ų
Heavy Atom Count84
Formal Charge0
Complexity1810
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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