1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine

Catalog	DGS19420576
CAS	19420-57-6
Structure
Synonyms	1-Octadecanoyl-sn-glycero-3-phosphocholine; PC(18:0/0:0)
IUPAC Name	[(2R)-2-hydroxy-3-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)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
InChI Key	IHNKQIMGVNPMTC-RUZDIDTESA-N
Melting Point	100-200 °C
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)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
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