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

Catalog	DGS253678669
CAS	253678-66-9
Synonyms	1-Nonanoyl-sn-glycero-3-phosphocholine; PC(9:0/0:0)
IUPAC Name	[(2R)-2-hydroxy-3-nonanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	397.44
Molecular Formula	C17H36NO7P
InChI	InChI=1S/C17H36NO7P/c1-5-6-7-8-9-10-11-17(20)23-14-16(19)15-25-26(21,22)24-13-12-18(2,3)4/h16,19H,5-15H2,1-4H3/t16-/m1/s1
InChI Key	VKTRCGYRHHVHRW-MRXNPFEDSA-N
Purity	>99%
Appearance	Powder
Complexity	418
Exact Mass	397.22293949
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Hygroscopic	Yes
Isomeric SMILES	CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Light Sensitive	No
Monoisotopic Mass	397.22293949
Rotatable Bond Count	17
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų
XLogP3-AA	1.8