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DSPE-PEG8 DBCO

CAT: 0804-HY-N16294Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N16294Size:1 Each
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Description
DSPE-PEG8-DBCO is a click chemistry reagent, it contains a DBCO group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups. DSPE-PEG8-DBCO can be used to prepare lipid nanoparticles for drug delivery.
CAS Number
3091879-24-9
UNSPSC
12352005
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=C(NCCOC(NCCOP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)(O[Na])=O)=O)CCC(N1CC(C=CC=C2)=C2C#CC3=C1C=CC=C3)=O.[8]
Molecular Formula
C77H127N3NaO19P
Molecular Weight
1452.80
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

sodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate
CAS Number3091879-24-9
PubChem CID178203647
IUPAC Namesodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate
Molecular FormulaC77H127N3NaO19P
Molecular Weight1452.8
Topological Polar Surface Area264
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count72
Heavy Atom Count101
Formal Charge0
Complexity2140
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)OCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C77H128N3O19P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41-75(83)96-66-71(99-76(84)42-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)67-98-100(86,87)97-50-48-79-77(85)95-64-63-94-62-61-93-60-59-92-58-57-91-56-55-90-54-53-89-52-51-88-49-47-78-73(81)45-46-74(82)80-65-70-39-34-33-37-68(70)43-44-69-38-35-36-40-72(69)80;/h33-40,71H,3-32,41-42,45-67H2,1-2H3,(H,78,81)(H,79,85)(H,86,87);/q;+1/p-1/t71-;/m1./s1
InChIKey
OYNUUKOEFRBRKP-FKZLBBSZSA-M
Chemical Structure
2D Structure
2D structure of sodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate
CAS: 3091879-24-9
CID: 178203647
Formula: C77H127N3NaO19P
MW: 1452.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1452.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count72
Exact Mass1451.86991011
Monoisotopic Mass1451.86991011
Topological Polar Surface Area264 Ų
Heavy Atom Count101
Formal Charge0
Complexity2140
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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