| CAS Number | 1528769-14-3 |
| Catalog Number | AG00ABGX(AGN-PC-0WG7WS) |
| Chemical Name | 1-Pentanone, 2-aMino-4-Methyl-1-[(2S)-2-Methyl-2-oxiranyl]-, (2S)-, 2,2,2-trifluoroacetate (1 |
| IUPAC Name | (2S)-2-amino-4-methyl-1-[(2S)-2-methyloxiran-2-yl]pentan-1-one;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C9H17NO2.C2HF3O2/c1-6(2)4-7(10)8(11)9(3)5-12-9;3-2(4,5)1(6)7/h6-7H,4-5,10H2,1-3H3;(H,6,7)/t7-,9-;/m0./s1 |
| InChI Key | OWGGQBZQMQMPBI-KUSKTZOESA-N |
| MDL Number | MFCD28167909 |
| Molecular Formula | C11H18F3NO4 |
| Molecular Weight | 285.2601 |
| SMILES | FC(C(=O)O)(F)F.N[C@H](C(=O)[C@]1(OC1)C)CC(C)C |
| Synonyms | 1528769-14-3,
(S)-2-amino-4-methyl-1-((S)-2-methyloxiran-2-yl)pentan-1-one 2,2,2-trifluoroacetate,
CS-M2705,
AKOS032960976,
CS-14792,
(S)-2-Amino-4-methyl-1-((S)-2-methyloxiran-2-yl)pentan-1-one Trifluoroacetate Salt,
1-Pentanone,2-aMino-4-Methyl-1-[(2S)-2-Methyl-2-oxiranyl]-,(2S)-,2,2,2-trifluoroacetate,
1-Pentanone, 2-aMino-4-Methyl-1-[(2S)-2-Methyl-2-oxiranyl]-, (2S)-, 2,2,2-trifluoroacetate (1,
(S)-2-amino-4-methyl-1-((S)-2-methyloxiran-2-yl)pentan-1-one trifluoro acid salt,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.263g/mol |
| Monoisotopic Mass | 285.119g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number