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

Catalog	DGS19420565
CAS	19420-56-5
Structure
Synonyms	1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine; PC(18:1(9Z)/0:0)
IUPAC Name	[(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	521.67
Molecular Formula	C26H52NO7P
InChI	InChI=1S/C26H52NO7P/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/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1
InChI Key	YAMUFBLWGFFICM-PTGWMXDISA-N
Purity	>99%
Appearance	Powder
Complexity	585
Exact Mass	521.34814000
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Hygroscopic	Yes
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Light Sensitive	No
Monoisotopic Mass	521.34814000
Rotatable Bond Count	25
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų
XLogP3-AA	5.7