| CAS Number | 221308-01-6 |
| Catalog Number | AG00C2PF(AGN-PC-0WH2UX) |
| Chemical Name | L,L-Dityrosine (hydrochloride) |
| IUPAC Name | (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;dihydrochloride |
| InChI | InChI=1S/C9H11NO3.2ClH/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;/h1-4,8,11H,5,10H2,(H,12,13);2*1H/t8-;;/m0../s1 |
| InChI Key | HRKNKRSZLCYTHJ-JZGIKJSDSA-N |
| MDL Number | MFCD22575199 |
| Molecular Formula | C18H22Cl2N2O6 |
| Molecular Weight | 433.2831 |
| SMILES | C1(C2=C(O)C=CC(C[C@H](N)C(O)=O)=C2)=C(O)C=CC(C[C@H](N)C(O)=O)=C1.Cl.Cl |
| Synonyms | L,L-Dityrosine Dihydrochloride,
221308-01-6,
FT-0667735,
HRKNKRSZLCYTHJ-JZGIKJSDSA-N,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.107g/mol |
| Monoisotopic Mass | 253.027g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number