| Name: | 3,5-Diiodo-L-tyrosine;3,5-Diiodotyrosine;L-Diiodotyrosine |
| Synonyms: | 3,5-Diiodo-L-tyrosine;3,5-Diiodotyrosine;L-Diiodotyrosine;3,5-DIIODOTYROSINE (L);3,5-Iodo-L-tyrosine;3,5-L-Diiodotyrosine;300-39-0;DIT (amino acid);EINECS 206-092-0;L-3,5-Diiodotyrosine;L-Tyrosine, 3,5-diiodo-;NSC 4143;Tyrosine, 3,5-diiodo-, L- (8CI);(2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid;3,5-Diiodotyrocine;4-Hydroxy-3,5-diiodophenylalanine;DIT;Ho~LPMJwBlzlrJJKQESQa``bjXa\@;diiodo-L-tyrosine;diiodotyrosine;iodotyrosine |
| Molecular Weight: | 432.9816 |
| Formula: | C9H9I2NO3 |
| CAS: | 300-39-0;300-39-0 66-02-4;29592-76-5;66-02-4 |
| Isomeric SMILES: | C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N |
| Canonical SMILES: | C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N |
| InChI: | InChI=1/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 |
| Experimental Water Solubility: | 0.617 mg/mL at 25 oC [CRC HANDBOOK] |
| Predicted Water Solubility: | 0.514 mg/mL [Predicted by ALOGPS] |
| Experimental LogP(octanol-water): | |
| Predicted LogP(octanol-water): | -0.70 [Predicted by ALOGPS]; 0.4 [Predicted by PubChem via XLOGP]; 0.57 [MEYLAN,WM & HOWARD,PH (1995)] |
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