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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178750267Generated: October 23, 2026

(2S)-2-acetamido-3-(4-acetyloxy-3,5-diiodophenyl)propanoic acid

Levothyroxine Impurity 65 · Levothyroxine Sodium Impurity 2 · Levothyroxine Related Compound 6 · Levothyroxine N,O-bis acetyl Impurity · L-Tyrosine, N-acetyl-3,5-diiodo-, acetate (ester) (9CI) · 2-Acetamido-3-(4-acetoxy-3,5-diiodophenyl)propanoic Acid · Levothyroxine impurity 7/2-Acetamido-3-(4-acetoxy-3,5-diiodophenyl)propanoic Acid · Levothyroxine Related Compound (2-Acetamido-3-(4-acetoxy-3,5-diiodophenyl)propanoic Acid)

https://huagongshe.com/en/chemical/178750267

(2S)-2-acetamido-3-(4-acetyloxy-3,5-diiodophenyl)propanoic acid molecular structure

Identifiers & Physical Properties

CAS No.153324-21-1
Molecular formulaC13H13I2NO5
Average molar mass517.05 g/mol
SMILESCC(=O)N[C@@H](Cc1cc(I)c(OC(C)=O)c(I)c1)C(=O)O
InChIKeyGTMFTWZGTFWOSE-NSHDSACASA-N

Chemical & Physical Properties

XLogP2.2
Topological polar surface area92.7
Hydrogen bond donors2
Hydrogen bond acceptors5
Rotatable bonds6
Heavy atoms21
Formal charge0
Complexity405
Boiling point634.499±55.00 °C(Press: 760.00 Torr)(predicted)
Density2.032±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
pKa (acidity coefficient)2.923±0.10(predicted)
Major applicationspharmaceutical small molecule