HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 439744Generated: October 23, 2026
3-Iodo-L-Tyrosine
2-Amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
https://huagongshe.com/en/chemical/439744
Identifiers & Physical Properties
| CAS No. | 3078-39-5 |
|---|
| Molecular formula | C9H10INO3 |
|---|
| Average molar mass | 307.08 g/mol |
|---|
| Monoisotopic mass | 306.97054118 g/mol |
|---|
| SMILES | N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O |
|---|
| InChIKey | UQTZMGFTRHFAAM-ZETCQYMHSA-N |
|---|
| PubChem CID | 439744 |
|---|
| ChEMBL | CHEMBL479789 |
|---|
| ChEBI | CHEBI:27847 |
|---|
| EC No. | 200-744-8 |
|---|
| DTXSID | DTXSID1075353 |
|---|
Chemical & Physical Properties
| XLogP | -1.1 |
|---|
| Topological polar surface area | 83.6 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 4 |
|---|
| Rotatable bonds | 3 |
|---|
| Heavy atoms | 14 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 212 |
|---|
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
|---|
| Solubility | 3 mg/mL |
|---|
| Melting point | 205 °C |
|---|
| Physical Description | Solid |
|---|
| Collision Cross Section | 158.8 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
|---|
| Storage conditions | 2-8°C |
|---|
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
