AC1O5AAO
2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methylazanium;methyl sulfate
Also Known As: EINECS 264-810-8|Disulfide,2,5-xylyl 3,4-xylyl|Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(2-((2-hydroxyethyl)(2-((1-oxohexadecyl)oxy)ethyl)amino)ethyl)amino)ethyl)-2-((2-hydroxyethyl)(1-oxohexadecyl)amino)-N-methyl-, methyl sulfate (1:1)|Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)[2-[(2-hydroxyethyl)[2-[(1-oxohexadecyl)oxy]ethyl]amino]ethyl]amino]ethyl]-2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]-N-methyl-, methyl sulfate (salt)|Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(2-((2-hydroxyethyl)(2-((1-oxohexadecyl)oxy)ethyl)amino)ethyl)amino)ethyl)-2-((2-hydroxyethyl)(1-oxohexadecyl)amino)-N-methyl-, methyl sulfate (salt)|2-[(2-{[2-(Hexadecanoyloxy)ethyl](2-hydroxyethyl)amino}ethyl)(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-N-{2-[N-(2-hydroxyethyl)hexadecanamido]ethyl}-N-methylethan-1-aminium methyl sulfate|2-[Hexadecanoyl(2-hydroxyethyl)amino]-N-{2-[(2-{[2-(hexadecanoyloxy)ethyl](2-hydroxyethyl)amino}ethyl)(2-hydroxyethyl)amino]ethyl}-N-(2-hydroxyethyl)-N-methylethan-1-aminium methyl sulfate|2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methylazanium,methyl sulfate|2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methylazanium; methyl sulfate|Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)[2-[(2-hydroxyethyl)[2-[(1-oxohexadecyl)oxy]ethyl]amino]ethyl]amino]ethyl]-2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]-N-methyl-, methyl sulfate (1:1)|Ethanaminium,N- -N-[2-[ [2-[ [2-[ oxy]ethyl]amino]ethyl]amino]ethyl]-2-[ amino]-N-methyl-,methylsulfate
| Molecular Formula | C50H104N4O11S |
|---|---|
| Molecular Weight | 968.74225 g/mol |
| LogP | 7.4336 |
| Topological Polar Surface Area | 200.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 49 |
| Exact Mass | 968.74225 |
| Monoisotopic Mass | 968.74225 |
| Heavy Atoms | 66 |
| Complexity | 1173.5435 |
Chemical Identifiers
| CAS Number | 64346-65-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCN(CCN(CCO)CCOC(=O)CCCCCCCCCCCCCCC)CCO)CCO)CCO.COS(=O)(=O)[O-] |
Product Overview
AC1O5AAO (CAS 64346-65-2), with molecular formula C50H104N4O11S and molecular weight 968.74225 g/mol. IUPAC: 2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl-[2-[2-[2-hexadecanoyloxyethyl(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl]-(2-hydroxyethyl)-methylazanium;methyl sulfate.