| CAS Number | 925448-37-9 |
| Catalog Number | AG01EPNP(AGN-PC-0ON9KM) |
| Chemical Name | 3-oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-hexadecanamide |
| IUPAC Name | 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadecanamide |
| InChI | InChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16-19(23)21-18-14-15-25-20(18)24/h18H,2-16H2,1H3,(H,21,23)/t18-/m0/s1 |
| InChI Key | YZBAMTUXUHIYCQ-SFHVURJKSA-N |
| MDL Number | MFCD31010424 |
| Molecular Formula | C20H35NO4 |
| Molecular Weight | 353.4962 |
| SMILES | O=C1[C@@H](NC(CC(CCCCCCCCCCCCC)=O)=O)CCO1 |
| Synonyms | 925448-37-9,
N-(3-Oxohexadecanoyl)-L-homoserine lactone,
3-oxo-N-[(3S)-Tetrahydro-2-oxo-3-furanyl]-hexadecanamide,
3-oxo-C16-HSL,
3OC16-HSL,
N-[(3S)-2-Oxo-3-oxolanyl]-3-oxohexadecanamide,
SCHEMBL3990374,
MFCD31010424,
ZINC137084239,
3-oxo-C16-HSL/ 3OC16-HSL/ 3-oxo-N-[(3S)-Tetrahydro-2-oxo-3-furanyl]-hexadecanamide,
|
| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.257g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.503g/mol |
| Monoisotopic Mass | 353.257g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 72.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number