| CAS Number | 99422-73-8 |
| Catalog Number | AG00JIOX(AGN-PC-0OP5GE) |
| Chemical Name | 6-Hexadecanoylamido-4-methylumbelliferone |
| IUPAC Name | N-(7-hydroxy-4-methyl-2-oxochromen-6-yl)hexadecanamide |
| InChI | InChI=1S/C26H39NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-22-18-21-20(2)17-26(30)31-24(21)19-23(22)28/h17-19,28H,3-16H2,1-2H3,(H,27,29) |
| InChI Key | FRYZAPGXJAWDCH-UHFFFAOYSA-N |
| MDL Number | MFCD08459600 |
| Molecular Formula | C26H39NO4 |
| Molecular Weight | 429.5922 |
| SMILES | O=C1OC=2C=C(O)C(=CC2C(=C1)C)NC(=O)CCCCCCCCCCCCCCC |
| Synonyms | 6-Hexadecanoylamido-4-methylumbelliferone,
6-Hexadecanoylamino-4-methylumbelliferone,
99422-73-8,
W-200017,
C26H39NO4,
SCHEMBL321639,
5995AH,
STL435084,
AKOS032455664,
ZINC100023727,
N-(7-hydroxy-4-methyl-2-oxo-2H-chromen-6-yl)hexadecanamide,
|
| Complexity | 574 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 429.288g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 429.601g/mol |
| Monoisotopic Mass | 429.288g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number