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Home > Other Building Blocks > 131933-66-9
131933-66-9 | Octadecanamide, N-[2-ethoxy-3-(phosphonooxy)propyl]-
CAS No: 131933-66-9 Catalog No: AG000ZXB MDL No:
Product Description
Catalog Number:
AG000ZXB
Chemical Name:
Octadecanamide, N-[2-ethoxy-3-(phosphonooxy)propyl]-
CAS Number:
131933-66-9
Molecular Formula:
C23H48NO6P
Molecular Weight:
465.6041
IUPAC Name:
[2-ethoxy-3-(octadecanoylamino)propyl] dihydrogen phosphate
InChI:
InChI=1S/C23H48NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-20-22(29-4-2)21-30-31(26,27)28/h22H,3-21H2,1-2H3,(H,24,25)(H2,26,27,28)
InChI Key:
WDPLVKQQISOEKQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)O)OCC
NSC Number:
648157
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.322g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
465.612g/mol
Monoisotopic Mass:
465.322g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of novel ether lipid nucleoside conjugates for anti-HIV-1 activity. | Journal of medicinal chemistry 19910401 |
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