| CAS Number | 204255-04-9 |
| Catalog Number | AG00C2EG(AGN-PC-0QUDGX) |
| Chemical Name | N-Desacetyl 5-azido oseltamivir |
| EC Number | 805-634-9 |
| IUPAC Name | ethyl (3S,4R,5S)-4-amino-5-azido-3-pentan-3-yloxycyclohexene-1-carboxylate |
| InChI | InChI=1S/C14H24N4O3/c1-4-10(5-2)21-12-8-9(14(19)20-6-3)7-11(13(12)15)17-18-16/h8,10-13H,4-7,15H2,1-3H3/t11-,12-,13+/m0/s1 |
| InChI Key | UXJWNTIKRKKBGZ-RWMBFGLXSA-N |
| MDL Number | MFCD11865109 |
| Molecular Formula | C14H24N4O3 |
| Molecular Weight | 296.3654 |
| SMILES | CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](N)[C@H](C1)N=[N+]=[N-] |
| Synonyms | N-Desacetyl 5-Azido Oseltamivir,
204255-04-9,
DTXSID40747503,
Ethyl (3R,4R,5S)-4-Amino-5-azido-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate,
ZINC77286943,
Ethyl (3S,4R,5S)-4-amino-5-azido-3-[(pentan-3-yl)oxy]cyclohex-1-ene-1-carboxylate,
(3R,4R,5S)-4-Amino-5-azido-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic Acid Ethyl Ester,
UXJWNTIKRKKBGZ-RWMBFGLXSA-N,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.371g/mol |
| Monoisotopic Mass | 296.185g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 75.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number