| CAS Number | 502481-30-3 |
| Catalog Number | AG003IPH(AGN-PC-0S77EF) |
| Chemical Name | 3,5-Dinitro-L-tyrosine monosodium salt |
| IUPAC Name | sodium;(2S)-2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoate |
| InChI | InChI=1S/C9H9N3O7.Na/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19;/h2-3,5,13H,1,10H2,(H,14,15);/q;+1/p-1/t5-;/m0./s1 |
| InChI Key | SDPPRYPYKFDRGM-JEDNCBNOSA-M |
| MDL Number | MFCD08276367 |
| Molecular Formula | C9H8N3NaO7 |
| Molecular Weight | 293.1655 |
| SMILES | N[C@@H](CC1=CC([N+]([O-])=O)=C(O)C([N+]([O-])=O)=C1)C([O-])=O.[Na+] |
| Synonyms | 3,5-Dinitro-L-tyrosine Sodium Salt,
502481-30-3,
DTXSID80659757,
AKOS025402667,
ACM502481303,
D3379,
Sodium (2S)-2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoate,
3,5-DINITRO-L-TYROSINESODIUMSALT,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.167g/mol |
| Monoisotopic Mass | 293.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 178A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number