96799-02-9 Purity
96%
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Specification
The molecular formula is C26H54NO6PS.
The molecular weight is 539.8 g/mol.
It was created on 2006-10-25.
The IUPAC name is [(2R)-2-acetylsulfanyl-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.
The Canonical SMILES is CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)SC(=O)C.
There are 7 hydrogen bond acceptors.
The topological polar surface area is 110 Ų.
There are 26 rotatable bonds.
Yes, it is considered canonicalized.
The InChIKey is YPPZOKNKENLFTE-AREMUKBSSA-N.