2-[(2-acetylsulfanyl-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium


Chemical Name: 2-[(2-acetylsulfanyl-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CAS Number: 96801-55-7
Product Number: AG00666G(AGN-PC-000SX7)
Synonyms:
MDL No:
Molecular Formula: C26H55NO6PS+
Molecular Weight: 540.7568

Identification/Properties


Computed Properties
Molecular Weight:
539.753g/mol
XLogP3:
7.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
26
Exact Mass:
539.341g/mol
Monoisotopic Mass:
539.341g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
550
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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