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148433-17-4 | Heptanamide, 3-oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-
CAS No: 148433-17-4 Catalog No: AG001KWY MDL No:
Product Description
Catalog Number:
AG001KWY
Chemical Name:
Heptanamide, 3-oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-
CAS Number:
148433-17-4
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
IUPAC Name:
3-oxo-N-[(3S)-2-oxooxolan-3-yl]heptanamide
InChI:
InChI=1S/C11H17NO4/c1-2-3-4-8(13)7-10(14)12-9-5-6-16-11(9)15/h9H,2-7H2,1H3,(H,12,14)/t9-/m0/s1
InChI Key:
WMGXONSYPOENKA-VIFPVBQESA-N
SMILES:
CCCCC(=O)CC(=O)N[C@H]1CCOC1=O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis of Pseudomonas quorum-sensing autoinducer analogs and structural entities required for induction of apoptosis in macrophages. | Bioorganic & medicinal chemistry letters 20060415 |
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