O-(Octylphosphoryl)choline

Catalog	DGS53255893
CAS	53255-89-3
Structure
Synonyms	Phosphocholine octyl ester
IUPAC Name	octyl 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	295.36
Molecular Formula	C13H30NO4P
InChI	InChI=1S/C13H30NO4P/c1-5-6-7-8-9-10-12-17-19(15,16)18-13-11-14(2,3)4/h5-13H2,1-4H3
InChI Key	MDNHUELOANFCGT-UHFFFAOYSA-N
Complexity	258
Exact Mass	295.19124544
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
MDL Number	MFCD07370102
Monoisotopic Mass	295.19124544
Rotatable Bond Count	12
Storage Conditions	2-8°C
Topological Polar Surface Area	58.6 Ų
XLogP3-AA	2.4