3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI)


Chemical Name: 3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI)
CAS Number: 155575-01-2
Product Number: AG001NZS(AGN-PC-0Q6WUZ)
Synonyms:
MDL No:
Molecular Formula: C44H84NO7P
Molecular Weight: 770.1140

Identification/Properties


Computed Properties
Molecular Weight:
770.13g/mol
XLogP3:
13.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
41
Exact Mass:
769.599g/mol
Monoisotopic Mass:
769.599g/mol
Topological Polar Surface Area:
94.1A^2
Heavy Atom Count:
53
Formal Charge:
0
Complexity:
938
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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