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18:0 Azidoethyl PC

CAT: 0013-GTR19265822-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19265822-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
18:0 Azidoethyl PC is a phospholipid amenable to click chemistry.
CAS Number
2342574-09-6
Smiles
[C@@H] (COP (OCC[N+] (CCN=[N+]=[N-]) (C) C) (=O) [O-]) (OC (CCCCCCCCCCCCCCCCC) =O) COC (CCCCCCCCCCCCCCCCC) =O
Molecular Formula
C45H89N4O8P
Molecular Weight
845.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

18:0 azidoethyl PC
CAS Number2342574-09-6
PubChem CID172946484
IUPAC Name2-[2-azidoethyl(dimethyl)azaniumyl]ethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate
Molecular FormulaC45H89N4O8P
Molecular Weight845.2
XLogP16.5
Topological Polar Surface Area126
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count47
Heavy Atom Count58
Formal Charge0
Complexity1050
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)CCN=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C45H89N4O8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(50)54-41-43(42-56-58(52,53)55-40-39-49(3,4)38-37-47-48-46)57-45(51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h43H,5-42H2,1-4H3/t43-/m1/s1
InChIKey
YPMUBEDITUJBER-VZUYHUTRSA-N
Chemical Structure
2D Structure
2D structure of 18:0 azidoethyl PC
CAS: 2342574-09-6
CID: 172946484
Formula: C45H89N4O8P
MW: 845.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight845.2
XLogP316.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count47
Exact Mass844.64180281
Monoisotopic Mass844.64180281
Topological Polar Surface Area126 Ų
Heavy Atom Count58
Formal Charge0
Complexity1050
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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