3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, hydrate (9CI)


Chemical Name: 3,5-Dioxa-9-aza-4-phosphapentacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, hydrate (9CI)
CAS Number: 163751-35-7
Product Number: AG001UD6(AGN-PC-0Q8HA3)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
508.681g/mol
XLogP3:
5.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
24
Exact Mass:
508.364g/mol
Monoisotopic Mass:
508.364g/mol
Topological Polar Surface Area:
96.9A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
534
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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