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

Catalog	DGS108341806
CAS	108341-80-6
Synonyms	1-Eicosanoyl-sn-glycero-3-phosphocholine; PC(20:0/0:0)
IUPAC Name	[(2R)-2-hydroxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	551.74
Molecular Formula	C28H58NO7P
InChI	InChI=1S/C28H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h27,30H,5-26H2,1-4H3/t27-/m1/s1
InChI Key	UATOAILWGVYRQS-HHHXNRCGSA-N
Purity	>99%
Appearance	Powder
Complexity	575
Exact Mass	551.39509019
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Hygroscopic	Yes
Isomeric SMILES	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Light Sensitive	No
Monoisotopic Mass	551.39509019
Rotatable Bond Count	28
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų
XLogP3-AA	7.7