3,5-Dioxa-8-thia-4-phosphaoctacosa-13,16,19,22-tetraen-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt,4-oxide, [R-(all-Z)]-


Chemical Name: 3,5-Dioxa-8-thia-4-phosphaoctacosa-13,16,19,22-tetraen-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt,4-oxide, [R-(all-Z)]-
CAS Number: 146797-82-2
Product Number: AG001ECC(AGN-PC-0PZB6G)
Synonyms:
MDL No:
Molecular Formula: C44H82NO6PS
Molecular Weight: 784.1637

Identification/Properties


Computed Properties
Molecular Weight:
784.175g/mol
XLogP3:
13.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
40
Exact Mass:
783.56g/mol
Monoisotopic Mass:
783.56g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
53
Formal Charge:
0
Complexity:
985
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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