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

Catalog	DGS50930239
CAS	50930-23-9
Structure
Synonyms	1-Heptadecanoyl-sn-glycero-3-phosphocholine; PC(17:0/0:0)
IUPAC Name	[(2R)-3-heptadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	509.66
Molecular Formula	C25H52NO7P
InChI	InChI=1S/C25H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h24,27H,5-23H2,1-4H3/t24-/m1/s1
InChI Key	SRRQPVVYXBTRQK-XMMPIXPASA-N
Purity	>99%
Appearance	Powder
Complexity	532
Exact Mass	509.34814000
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Hygroscopic	Yes
Isomeric SMILES	CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Light Sensitive	No
Monoisotopic Mass	509.34814000
Rotatable Bond Count	25
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų
XLogP3-AA	6.1