RefChem:415504

3-[bis(2-hydroxyethyl)-methylazaniumyl]propyl-[3-[(3-dodecoxy-2-hydroxypropyl)-(2-hydroxyethyl)-methylazaniumyl]propyl]-(2-hydroxyethyl)-methylazanium;methyl sulfate

Also Known As: 1,3-Propanediaminium, N-(3-(bis(2-hydroxyethyl)methylammonio)propyl)-N'-(3-(dodecyloxy)-2-hydroxypropyl)-N,N'-bis(2-hydroxyethyl)-N,N'-dimethyl-, tris(methyl sulfate) (salt)|1,13-Dihydroxy-3,7,11-tris(2-hydroxyethyl)-3,7,11-trimethyl-15-oxa-3,7,11-triazoniaheptacosane trisulphate|1,3-Propanediaminium, N-[3-[bis(2-hydroxyethyl)methylammonio]propyl]-N'-[3-(dodecyloxy)-2-hydroxypropyl]-N,N'-bis(2-hydroxyethyl)-N,N'-dimethyl-, tris[methyl sulfate] (salt)|1,3-Propanediaminium, N1-(3-(bis(2-hydroxyethyl)methylammonio)propyl)-N1-(3-(dodecyloxy)-2-hydroxypropyl)-N1,N3-bis(2-hydroxyethyl)-N1,N3-dimethyl-, methyl sulfate (1:3)|N-(3-(Dodecyloxy)-2-hydroxypropyl)-N,N'-bis(2-hydroxyethyl)-N'-(3-(bis(2-hydroxyethyl)methylammonio)propyl)-N,N-dimethyl-1,3-propanediaminium tris(methyl sulfate)|1,3-Propanediaminium, N-[3-[bis(2-hydroxyethyl) methylammonio]propyl]-N'-[3-(dodecyloxy)-2-hydroxypropyl ]-N,N'-bis(2-hydroxyethyl)-N,N'-dimethyl-, tris(methyl sulfate) (salt)|1,3-Propanediaminium, N-[3-[bis(2-hydroxyethyl)methylammonio]propyl]-N'-[3-(dodecyloxy)-2-hydroxypropyl]-N,N'-bis(2-hydroxyethyl)-N,N'-dimethyl-, tris(methyl sulfate) (salt)|3-[bis(2-hydroxyethyl)-methylazaniumyl]propyl-[3-[(3-dodecoxy-2-hydroxypropyl)-(2-hydroxyethyl)-methylazaniumyl]propyl]-(2-hydroxyethyl)-methylazanium; methyl sulfate

Molecular Formula	C33H75N3O10S+2
Molecular Weight	705.51733 g/mol
LogP	1.467
Topological Polar Surface Area	185.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	31
Exact Mass	705.51733
Monoisotopic Mass	705.51733
Heavy Atoms	47
Complexity	672.0

Chemical Identifiers

CAS Number	75199-22-3
SMILES	CCCCCCCCCCCCOCC(C[N+](C)(CCC[N+](C)(CCC[N+](C)(CCO)CCO)CCO)CCO)O.COS(=O)(=O)[O-]
InChIKey	ZEXQKLWBFQMOBY-UHFFFAOYSA-M