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

Catalog	DGS22248631
CAS	22248-63-1
Structure
Synonyms	1-Decanoyl-sn-glycero-3-phosphocholine; PC(10:0/0:0)
IUPAC Name	[(2R)-3-decanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	411.47
Molecular Formula	C18H38NO7P
InChI	InChI=1S/C18H38NO7P/c1-5-6-7-8-9-10-11-12-18(21)24-15-17(20)16-26-27(22,23)25-14-13-19(2,3)4/h17,20H,5-16H2,1-4H3/t17-/m1/s1
InChI Key	SECPDKKEUKDCPG-QGZVFWFLSA-N
Purity	>99%
Appearance	Powder
Complexity	432
Exact Mass	411.23858955
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Hygroscopic	Yes
Isomeric SMILES	CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Light Sensitive	No
Monoisotopic Mass	411.23858955
Rotatable Bond Count	18
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų
XLogP3-AA	2.3