Basic information
- CAS
1027-28-7- Standard SMILES
CC(=O)NC(Cc1cc(I)c(O)c(I)c1)C(=O)O- InChIKey
CDXURJOCZAIXFK-UHFFFAOYSA-N- Molecular formula
- C11H11I2NO4
- Average molar mass
- 475.02 g/mol
- Monoisotopic mass
- 474.87775
Names & identifiers
- Preferred name
- N-Acetyl-3,5-diiodo-L-tyrosine
- IUPAC
- 2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
- English name
- N-Acetyl-3,5-diiodo-L-tyrosine
- Molecular formula
- C11H11I2NO4
- Molecular weight
- 475.02
Names & synonyms
EINECS 213-837-3NSC 76100AI3-62313L-Tyrosine, N-acetyl-3,5-diiodo-RefChem:162535213-837-31027-28-7CDXURJOCZAIXFK-UHFFFAOYSA-NN-Acetyl-3,5-diiodo-L-tyrosine2-(Acetylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid3604-84-0C11H11I2NO4
Show more names
N-Acetyl-3,Ac-Tyr(3,5-DiI)-OH5-Diiodo-L-TyrosineAC-3,5-DIIODO-TYR-OHLevothyroxine Impurity 66N-Acetyl-3,5-diiodotyrosineN-Acetyl-3,5-diiod-L-tyrosin3,5-Diiodo-N-acetyl-L-tyrodine
N-acetyl-3-5-diiodo-L-tyrosineNSC76100SCHEMBL4688862-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acidNSC-761003,5-DIIODO-N-ACETYL-L-TYROSINELS-13932N-Acetyl-4-hydroxy-3,5-diiodophenylalanine #
Database identifiers
- CAS
1027-28-7- PubChem CID
- 70565
- EC Number
- 213-837-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 124 to · 124.0 to 128.0 °C
- Boiling point
- 532.9 · 532.9±50.0 °C(Predicted)
- Density
- 2.206 · 2.206±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- solubility
- almost transparency in Methanol
- form
- powder to crystal
- pka
- 2.98 · 2.98±0.10(Predicted)
- color
- White to Light yellow to Light orange
- CAS DataBase Reference
- 1027 · 1027-28-7(CAS DataBase Reference)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- HS Code
- 2922.49 · 2922.49.4950
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2922.49.4950
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesN-Acetyl-3,5-diiodo-L-tyrosine has been used in the modeling system to study thyroid hormone biosynthesis. N-Acetyl-3,5-diiodo-L-tyrosine was also investigated for its ability to inhibit pepsin-cata lyzed hydrolysis to determine the substrate binding region of the active center of the enzyme.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
青岛司臣生物科技有限公司15066846586 15712728865 13713086161 15066846586 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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