1-Propanaminium, 3,3',3''-[phosphinylidynetris(oxy)]tris[N-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-, N,N',N''-tri-C6-18 acyl derivs. trichlorides 83682-78-4 wiki

1.1 Name: 1-Propanaminium, 3,3',3''-[phosphinylidynetris(oxy)]tris[N-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-, N,N',N''-tri-C6-18 acyl derivs. trichlorides

1.2 Synonyms: 1-Propanaminium, 3,3,3-phosphinylidynetris(oxy)trisN-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-, N,N,N-tri-C6-18 acyl derivs. trichlorides; 1-Propanaminium, 3,3′,3′′-(Phosphinylidintris(oxy))tris(N-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-, N,N′,N′′-Tri-C6-18-acylderivate, Trichloride; 1-Propanaminium, 3,3′,3′′-[phosphinylidynetris(oxy)]tris[N-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-, N,N′,N′′-tri-C6-18 acyl derivs. trichlorides; 3,3',3''-[Phosphinylidynetris(oxy)]tris[N-(3-aminopropyl)-2-hydroxy-N,N-dimethyl-1-propanaminium N,N',N''-tricocoyl derivs. trichlorides; Cocamidopropyl PG-Dimonium Chloride Phosphate; Einecs 280-518-3; Tris(N-C5-17-alkylamidopropyl-N,N-dimethyl-N-(2-hydroxypropyl)ammonio) phosphate trichloride;

1.7 Inchi: InChI=1S/C78H147N6O10P.3ClH/c1-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-76(88)79-61-55-64-82(4,5)67-73(85)70-92-95(91,93-71-74(86)68-83(6,7)65-56-62-80-77(89)59-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-2)94-72-75(87)69-84(8,9)66-57-63-81-78(90)60-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-3;;;/h22-27,31-36,73-75,85-87H,10-21,28-30,37-72H2,1-9H3;3*1H/b25-22-,26-23-,27-24-,34-31-,35-32-,36-33-;;;

1.9 Canonical Smiles: CCCCCC=CCC=CCCCCCCCC(=O)NCCC[N+](C)(C)CC(COP(=O)(OCC(C[N+](C)(C)CCCNC(=O)CCCCCCCC=CCC=CCCCCC)O)OCC(C[N+](C)(C)CCCNC(=O)CCCCCCCC=CCC=CCCCCC)O)O.[Cl-].[Cl-].[Cl-]

1.10 Isomers Smiles: CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCC[N+](CC(O)COP(=O)(OCC(O)C[N+](CCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(C)C)OCC(O)C[N+](CCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(C)C)(C)C.[Cl-].[Cl-].[Cl-]

Molecular Weight：1469.392561g/mol
Molecular Formula：C₇₈H₁₅₀Cl₃N₆O₁₀P
Compound Is Canonicalized：True
XLogP3-AA：1467.021665
Monoisotopic Mass：1467.021665
Complexity：1840
Rotatable Bond Count：69
Hydrogen Bond Donor Count：6
Hydrogen Bond Acceptor Count：13
Topological Polar Surface Area：193
Heavy Atom Count：：98
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：3
Defined Bond Stereocenter Count：6
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：4
CACTVS Substructure Key Fingerprint：AAADcfB/vAIGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCCAACBThgAYCAAPAAxCIQCFSEIAAAAAgAAAICIEIAAgDEBIAwQAEAAAClgCZAAMYiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==