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

Catalog	DGS27869416
CAS	27869-41-6
Synonyms	1-Undecanoyl-sn-glycero-3-phosphocholine; PC(11:0/0:0)
IUPAC Name	[(2R)-2-hydroxy-3-undecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	425.50
Molecular Formula	C19H40NO7P
InChI	InChI=1S/C19H40NO7P/c1-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20(2,3)4/h18,21H,5-17H2,1-4H3/t18-/m1/s1
InChI Key	OZRAIUXQMKVTIQ-GOSISDBHSA-N
Purity	>99%
Appearance	Powder
Complexity	446
Exact Mass	425.25423961
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Hygroscopic	Yes
Isomeric SMILES	CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Light Sensitive	No
Monoisotopic Mass	425.25423961
Rotatable Bond Count	19
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų
XLogP3-AA	2.8