96-71-9 Purity
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Specification
The molecular formula of Oleyoxyethyl phosphorylcholine is C25H53NO5P.
It was created on February 8, 2007, and modified on December 30, 2023.
The molecular weight of Oleyoxyethyl phosphorylcholine is 478.7 g/mol.
The IUPAC Name of Oleyoxyethyl phosphorylcholine is 2-[hydroxy-[2-[(Z)-octadec-9-enoxy]ethoxy]phosphoryl]oxyethyl-trimethylazanium.
The InChI of Oleyoxyethyl phosphorylcholine is InChI=1S/C25H52NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24-25-31-32(27,28)30-23-21-26(2,3)4/h12-13H,5-11,14-25H2,1-4H3/p+1/b13-12-.
The Canonical SMILES of Oleyoxyethyl phosphorylcholine is CCCCCCCCC=CCCCCCCCCOCCOP(=O)(O)OCC[N+](C)(C)C.
Oleyoxyethyl phosphorylcholine has 1 Hydrogen Bond Donor Count.
The XLogP3-AA value of Oleyoxyethyl phosphorylcholine is 6.8.
The Heavy Atom Count of Oleyoxyethyl phosphorylcholine is 32.
Yes, Oleyoxyethyl phosphorylcholine is Canonicalized according to PubChem (release 2021.10.14).