2-Amino-3-[3,5-Bis[5-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-Hydroxyphenyl]-4-Hydroxyphenyl]Propanoic Acid
[CAS# 1064-50-2]

Identification

• Name: 2-Amino-3-[3,5-Bis[5-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-Hydroxyphenyl]-4-Hydroxyphenyl]Propanoic Acid
• Synonyms: 2-Amino-3-[3,5-Bis[5-(2-Amino-3-Hydroxy-3-Oxo-Propyl)-2-Hydroxy-Phenyl]-4-Hydroxy-Phenyl]Propanoic Acid; 2-Amino-3-[3,5-Bis[5-(2-Amino-3-Hydroxy-3-Keto-Propyl)-2-Hydroxy-Phenyl]-4-Hydroxy-Phenyl]Propionic Acid; 3,3',3''-Tertyrosine
• Molecular Formula: C₂₇H₂₉N₃O₉
• Molecular Weight: 539.54
• CAS Registry Number: 1064-50-2
• SMILES: C1=C(C=C(C(=C1C2=C(O)C=CC(=C2)CC(N)C(=O)O)O)C3=C(O)C=CC(=C3)CC(N)C(=O)O)CC(N)C(=O)O
• InChI: 1S/C27H29N3O9/c28-19(25(34)35)9-12-1-3-22(31)15(5-12)17-7-14(11-21(30)27(38)39)8-18(24(17)33)16-6-13(2-4-23(16)32)10-20(29)26(36)37/h1-8,19-21,31-33H,9-11,28-30H2,(H,34,35)(H,36,37)(H,38,39)
• InChIKey: NPBWIDQFGZURMZ-UHFFFAOYSA-N

Properties

• Density: 1.502g/cm³ (Cal.)
• Boiling point: 794.996°C at 760 mmHg (Cal.)
• Flash point: 434.598°C (Cal.)