| CAS Number | 878627-21-5 |
| Catalog Number | AG00GTBH(AGN-PC-0OLBTP) |
| Chemical Name | N-Tridecanoyl-L-homserine lactone |
| IUPAC Name | N-[(3S)-2-oxooxolan-3-yl]tridecanamide |
| InChI | InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)18-15-13-14-21-17(15)20/h15H,2-14H2,1H3,(H,18,19)/t15-/m0/s1 |
| InChI Key | BWHZLNSEWMAGNV-HNNXBMFYSA-N |
| MDL Number | MFCD11976907 |
| Molecular Formula | C17H31NO3 |
| Molecular Weight | 297.4329 |
| SMILES | CCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O |
| Synonyms | N-tridecanoyl-L-Homserine lactone,
878627-21-5,
SCHEMBL3994544,
BWHZLNSEWMAGNV-HNNXBMFYSA-N,
HMS3648C18,
1957AH,
ZINC64857785,
(3S)-3-(Tridecanoylamino)tetrahydrofuran-2-one,
SR-01000946353,
N-[(3S)-Tetrahydro-2-oxo-3-furanyl]tridecanamide,
SR-01000946353-1,
C17H31NO3,
N-(2-oxooxolan-3-yl)tridecanamide,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.23g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.439g/mol |
| Monoisotopic Mass | 297.23g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number