1,2-Diheptanoyl-sn-glycero-3-phosphocholine

Catalog	DGS39036049
CAS	39036-04-9
Structure
Synonyms	Fos-Choline12; FOS12
IUPAC Name	[(2R)-2,3-di(heptanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	351.46
Molecular Formula	C17H38NO4P
Canonical SMILES	CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC
InChI	InChI=1S/C22H44NO8P/c1-6-8-10-12-14-21(24)28-18-20(31-22(25)15-13-11-9-7-2)19-30-32(26,27)29-17-16-23(3,4)5/h20H,6-19H2,1-5H3/t20-/m1/s1
InChI Key	RBFSPQDASPEAID-HXUWFJFHSA-N
Purity	>99%
Appearance	Powder
Complexity	556
Exact Mass	481.28045436
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Hygroscopic	No
Isomeric SMILES	CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC
Light Sensitive	No
Monoisotopic Mass	481.28045436
Rotatable Bond Count	22
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų
XLogP3-AA	3.7