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

Catalog	DGS58445968
CAS	58445-96-8
Structure
Synonyms	1-Hexanoyl-sn-glycero-3-phosphocholine; PC(6:0/0:0)
IUPAC Name	[(2R)-3-hexanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	355.36
Molecular Formula	C14H30NO7P
InChI	InChI=1S/C14H30NO7P/c1-5-6-7-8-14(17)20-11-13(16)12-22-23(18,19)21-10-9-15(2,3)4/h13,16H,5-12H2,1-4H3/t13-/m1/s1
InChI Key	WDNDPXJAUNUOFK-CYBMUJFWSA-N
Purity	>99%
Appearance	Powder
Complexity	376
Exact Mass	355.17598929
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Hygroscopic	Yes
Isomeric SMILES	CCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Light Sensitive	No
Monoisotopic Mass	355.17598929
Rotatable Bond Count	14
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų
XLogP3-AA	0.1