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

Catalog	DGS1213783802
CAS	1213783-80-2
Synonyms	1-Hexacosanoyl-sn-glycero-3-phosphocholine; PC(26:0/0:0)
IUPAC Name	[(2R)-3-hexacosanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	635.90
Molecular Formula	C34H70NO7P
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C34H70NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(37)40-31-33(36)32-42-43(38,39)41-30-29-35(2,3)4/h33,36H,5-32H2,1-4H3/t33-/m1/s1
InChI Key	WSDKRPCAPHRNNZ-MGBGTMOVSA-N
Purity	>99%
Appearance	Powder
Complexity	663
Exact Mass	635.48899057
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Hygroscopic	Yes
Isomeric SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Light Sensitive	No
Monoisotopic Mass	635.48899057
Rotatable Bond Count	34
Stability	1 Year
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų
XLogP3-AA	11