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Dspe-PEG5-azide

CAT: 0926-MJD73773-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-MJD73773-02Size:10 mg
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CAS Number
2112737-73-0
MDL Number
MFCD30828704
Smiles
CCCCCCCCCCCCCCCCCC (=O) OCC (COP (=O) (O) OCCNC (=O) CCOCCOCCOCCOCCOCCN=[N+]=[N-]) OC (=O) CCCCCCCCCCCCCCCCC
Molecular Formula
C54H105N4O14P
Molecular Weight
1,065.4 g/mol
Controlled
No

Chemical Information

DSPE-PEG5-azide
CAS Number2112737-73-0
PubChem CID129009593
IUPAC Name[(2R)-3-[2-[3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Molecular FormulaC54H105N4O14P
Molecular Weight1065.4
XLogP15.1
Topological Polar Surface Area198
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count62
Heavy Atom Count73
Formal Charge0
Complexity1330
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C54H105N4O14P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-53(60)69-49-51(72-54(61)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)50-71-73(62,63)70-40-36-56-52(59)35-38-64-41-43-66-45-47-68-48-46-67-44-42-65-39-37-57-58-55/h51H,3-50H2,1-2H3,(H,56,59)(H,62,63)/t51-/m1/s1
InChIKey
GMYJRHJQIGPSEN-NLXJDERGSA-N
Chemical Structure
2D Structure
2D structure of DSPE-PEG5-azide
CAS: 2112737-73-0
CID: 129009593
Formula: C54H105N4O14P
MW: 1065.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1065.4
XLogP315.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count62
Exact Mass1064.73649103
Monoisotopic Mass1064.73649103
Topological Polar Surface Area198 Ų
Heavy Atom Count73
Formal Charge0
Complexity1330
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

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