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163702-18-9

163702-18-9 | 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 7-ethoxy-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, hydrate (9CI)

CAS No: 163702-18-9 Catalog No: AG001UBY MDL No:

Product Description

Catalog Number:
AG001UBY
Chemical Name:
3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 7-ethoxy-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, hydrate (9CI)
CAS Number:
163702-18-9
IUPAC Name:
[2-ethoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C28H59N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)29-25-27(34-7-2)26-36-37(32,33)35-24-23-30(3,4)5/h27H,6-26H2,1-5H3,(H-,29,31,32,33)
InChI Key:
QUVZKDZYEOYGKV-UHFFFAOYSA-N
NSC Number:
624874

Properties

Complexity:
577  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.411g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
550.762g/mol
Monoisotopic Mass:
550.411g/mol
Rotatable Bond Count:
27  
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7  

Literature

Title Journal
Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. The Journal of biological chemistry 20020419
Synthesis and evaluation of novel ether lipid nucleoside conjugates for anti-HIV-1 activity. Journal of medicinal chemistry 19910401
In vitro evaluation of phosphocholine and quaternary ammonium containing lipids as novel anti-HIV agents. Journal of medicinal chemistry 19910401
Novel membrane-interactive ether lipid analogs that inhibit infectious HIV-1 production and induce defective virus formation. AIDS research and human retroviruses 19900401

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