Pretyrosine
[CAS# 53078-86-7]

Identification

• Name: Pretyrosine
• Synonyms: 1-[(2S)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-4-Hydroxy-Cyclohexa-2,5-Diene-1-Carboxylic Acid; 1-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]-4-Hydroxy-1-Cyclohexa-2,5-Dienecarboxylic Acid; 1-[(2S)-2-Amino-3-Hydroxy-3-Keto-Propyl]-4-Hydroxy-Cyclohexa-2,5-Diene-1-Carboxylic Acid
• Molecular Formula: C₁₀H₁₃NO₅
• Molecular Weight: 227.22
• CAS Registry Number: 53078-86-7
• SMILES: [C@H](N)(CC1(C=CC(O)C=C1)C(O)=O)C(O)=O
• InChI: 1S/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)/t6?,7-,10?/m0/s1
• InChIKey: MIEILDYWGANZNH-DSQUFTABSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 510.249°C at 760 mmHg (Cal.)
• Flash point: 262.389°C (Cal.)