RefChem:138103

2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methylazanium;methyl sulfate

Also Known As: EINECS 265-354-2|Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)-N-methyl-2-((1-oxohexadecyl)oxy)-, methyl sulfate (1:1)|Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)-N-methyl-2-((1-oxohexadecyl)oxy)-, methyl sulfate (salt)|Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]ethyl]-N-methyl-2-[(1-oxohexadecyl)oxy]-, methyl sulfate (salt)|2-hydroxy-n-{2-[(2-hydroxyethyl)(palmitoyl)amino]ethyl}-n-methyl-n-[2-(palmitoyloxy)ethyl]ethanaminium methyl sulfate|Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]ethyl]-N-methyl-2-[(1-oxohexadecyl)oxy]-, methyl sulfate (1:1)|(2-Hydroxyethyl)(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)methyl(2-((1-oxohexadecyl)oxy)ethyl)ammonium methyl sulphate|(2-hydroxyethyl)[2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]ethyl]methyl[2-[(1-oxohexadecyl)oxy]ethyl]ammonium methyl sulphate|2-(Hexadecanoyloxy)-N-(2-hydroxyethyl)-N-{2-[N-(2-hydroxyethyl)hexadecanamido]ethyl}-N-methylethan-1-aminium methyl sulfate|2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-(2-hexadecanoyloxyethyl)-(2-hydroxyethyl)-methylazanium; methyl sulfate

Molecular Formula	C42H86N2O9S
Molecular Weight	794.6054 g/mol
LogP	8.85
Topological Polar Surface Area	153.5 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	39
Exact Mass	794.6054
Heavy Atoms	54
Complexity	938.8

Chemical Identifiers

CAS Number	65060-06-2
SMILES	CCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCC)CCO.COS(=O)(=O)[O-]