2-Stearoyl-sn-glycero-3-phosphocholine

Catalog	DGS4421583
CAS	4421-58-3
Synonyms	2-Octadecanoyl-sn-glycero-3-phosphocholine
IUPAC Name	[(2R)-3-hydroxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	523.68
Molecular Formula	C26H54NO7P
InChI	InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
InChI Key	IQGPMZRCLCCXAG-RUZDIDTESA-N
Purity	>99%
Appearance	Powder
Complexity	546
Exact Mass	523.36379006
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Hygroscopic	Yes
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
Light Sensitive	No
Monoisotopic Mass	523.36379006
Rotatable Bond Count	26
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų
XLogP3-AA	6.6