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

Catalog	DGS160118490
CAS	160118-49-0
Synonyms	1-Heptanoyl-sn-glycero-3-phosphocholine; PC(7:0/0:0)
IUPAC Name	[(2R)-3-heptanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	369.39
Molecular Formula	C15H32NO7P
InChI	InChI=1S/C15H32NO7P/c1-5-6-7-8-9-15(18)21-12-14(17)13-23-24(19,20)22-11-10-16(2,3)4/h14,17H,5-13H2,1-4H3/t14-/m1/s1
InChI Key	RGIOGDXWJBHLCU-CQSZACIVSA-N
Purity	>99%
Appearance	Powder
Complexity	390
Exact Mass	369.19163936
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Hygroscopic	Yes
Isomeric SMILES	CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Light Sensitive	No
Monoisotopic Mass	369.19163936
Rotatable Bond Count	15
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų
XLogP3-AA	0.7