Penamaldic Acid
[CAS# 81040-68-8]

Identification

• Name: Penamaldic Acid
• Synonyms: (2S)-2-[[(2S)-2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino]-3-Oxo-Propanoic Acid; (2S)-2-[[(2S)-2-Amino-2-(4-Hydroxyphenyl)-1-Oxoethyl]Amino]-3-Oxopropanoic Acid; (2S)-2-[[(2S)-2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino]-3-Keto-Propionic Acid
• Molecular Formula: C₁₁H₁₂N₂O₅
• Molecular Weight: 252.23
• CAS Registry Number: 81040-68-8
• SMILES: [C@H](C(=O)O)(NC([C@@H](N)C1=CC=C(C=C1)O)=O)C=O
• InChI: 1S/C11H12N2O5/c12-9(6-1-3-7(15)4-2-6)10(16)13-8(5-14)11(17)18/h1-5,8-9,15H,12H2,(H,13,16)(H,17,18)/t8-,9-/m0/s1
• InChIKey: HJJDXWIOXFWIOF-IUCAKERBSA-N

Properties

• Density: 1.459g/cm³ (Cal.)
• Boiling point: 579.622°C at 760 mmHg (Cal.)
• Flash point: 304.345°C (Cal.)