2-Amino-3-[4-[5-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-Hydroxyphenoxy]-3-[5-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-Hydroxyphenyl]Phenyl]Propanoic Acid
[CAS# 77533-78-9]

Identification

• Name: 2-Amino-3-[4-[5-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-Hydroxyphenoxy]-3-[5-(2-Amino-3-Hydroxy-3-Oxopropyl)-2-Hydroxyphenyl]Phenyl]Propanoic Acid
• Synonyms: 2-Amino-3-[4-[5-(2-Amino-3-Hydroxy-3-Oxo-Propyl)-2-Hydroxy-Phenoxy]-3-[5-(2-Amino-3-Hydroxy-3-Oxo-Propyl)-2-Hydroxy-Phenyl]Phenyl]Propanoic Acid; 2-Amino-3-[4-[5-(2-Amino-3-Hydroxy-3-Keto-Propyl)-2-Hydroxy-Phenoxy]-3-[5-(2-Amino-3-Hydroxy-3-Keto-Propyl)-2-Hydroxy-Phenyl]Phenyl]Propionic Acid; (1,1'-Biphenyl)-3,3'-Dipropanoic Acid, Alpha,Alpha'-Diamino-6-(5-(2-Amino-2-Carboxyethyl)-2-Hydroxyphenoxy)-6'-Hydroxy-
• Molecular Formula: C₂₇H₂₉N₃O₉
• Molecular Weight: 539.54
• CAS Registry Number: 77533-78-9
• SMILES: C1=C(C=CC(=C1C2=C(O)C=CC(=C2)CC(N)C(=O)O)OC3=CC(=CC=C3O)CC(N)C(=O)O)CC(N)C(=O)O
• InChI: 1S/C27H29N3O9/c28-18(25(33)34)9-13-1-4-21(31)16(7-13)17-8-14(10-19(29)26(35)36)3-6-23(17)39-24-12-15(2-5-22(24)32)11-20(30)27(37)38/h1-8,12,18-20,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)
• InChIKey: RSHIWRXCRSATFW-UHFFFAOYSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 782.828°C at 760 mmHg (Cal.)
• Flash point: 427.239°C (Cal.)