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149022-18-4 | Hexadecanamide, N-[(1R,2R)-2-hydroxy-1-(4-morpholinylmethyl)-2-phenylethyl]-, rel-
CAS No: 149022-18-4 Catalog No: AG001LCQ MDL No:
Product Description
Catalog Number:
AG001LCQ
Chemical Name:
Hexadecanamide, N-[(1R,2R)-2-hydroxy-1-(4-morpholinylmethyl)-2-phenylethyl]-, rel-
CAS Number:
149022-18-4
Molecular Formula:
C29H50N2O3
Molecular Weight:
474.7189
IUPAC Name:
N-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide
InChI:
InChI=1S/C29H50N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(32)30-27(25-31-21-23-34-24-22-31)29(33)26-18-15-14-16-19-26/h14-16,18-19,27,29,33H,2-13,17,20-25H2,1H3,(H,30,32)/t27-,29-/m1/s1
InChI Key:
OFBANDBMHLEMFA-XRKRLSELSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](c1ccccc1)O)CN1CCOCC1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
474.382g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.73g/mol
Monoisotopic Mass:
474.382g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
Literature
| Title | Journal |
|---|---|
| An inhibitor of glycosphingolipid metabolism blocks HIV-1 infection of primary T-cells. | AIDS (London, England) 20040409 |
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