| CAS Number | 79677-58-0 |
| Catalog Number | AG00GAPQ(AGN-PC-0OI9KK) |
| Chemical Name | 3-Iodo-L-tyrosine methyl ester hydrochloride |
| IUPAC Name | methyl (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C10H12INO3.ClH/c1-15-10(14)8(12)5-6-2-3-9(13)7(11)4-6;/h2-4,8,13H,5,12H2,1H3;1H/t8-;/m0./s1 |
| InChI Key | CCYPOKVFIQWUNE-QRPNPIFTSA-N |
| MDL Number | MFCD07778603 |
| Molecular Formula | C10H13ClINO3 |
| Molecular Weight | 357.5726 |
| SMILES | COC(=O)[C@H](CC1=CC(=C(C=C1)O)I)N.Cl |
| Synonyms | 3-IODO-L-TYROSINE METHYL ESTER HYDROCHLORIDE,
79677-58-0,
(S)-Methyl 2-amino-3-(4-hydroxy-3-iodophenyl)propanoate hydrochloride,
SCHEMBL7673388,
CCYPOKVFIQWUNE-QRPNPIFTSA-N,
CS-13080,
DB-080792,
FT-0771992,
CID11233644,
3-IODO-L-TYROSINEMETHYLESTERHYDROCHLORIDE,
Methyl (2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoate Hydrochloride,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.572g/mol |
| Monoisotopic Mass | 356.963g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number