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

Catalog	DGS45287181
CAS	45287-18-1
Synonyms	1-Octanoyl-sn-glycero-3-phosphocholine; PC(8:0/0:0)
IUPAC Name	[(2R)-2-hydroxy-3-octanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	383.42
Molecular Formula	C16H34NO7P
InChI	InChI=1S/C16H34NO7P/c1-5-6-7-8-9-10-16(19)22-13-15(18)14-24-25(20,21)23-12-11-17(2,3)4/h15,18H,5-14H2,1-4H3/t15-/m1/s1
InChI Key	ZVPMBHRQDPDKEF-OAHLLOKOSA-N
Purity	>99%
Appearance	Powder
Complexity	404
Exact Mass	383.20728942
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Hygroscopic	Yes
Isomeric SMILES	CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Light Sensitive	No
Monoisotopic Mass	383.20728942
Rotatable Bond Count	16
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų
XLogP3-AA	1.2