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163751-35-7 | 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 No: 163751-35-7 Catalog No: AG001UD6 MDL No:
Product Description
Catalog Number:
AG001UD6
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
IUPAC Name:
[3-(hexadecanoylamino)-2-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C25H53N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)26-22-24(31-5)23-33-34(29,30)32-21-20-27(2,3)4/h24H,6-23H2,1-5H3,(H-,26,28,29,30)
InChI Key:
GLZQVYDFXUECNY-UHFFFAOYSA-N
NSC Number:
624871
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.364g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
508.681g/mol
Monoisotopic Mass:
508.364g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| In vitro evaluation of phosphocholine and quaternary ammonium containing lipids as novel anti-HIV agents. | Journal of medicinal chemistry 19910401 |
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