Dopa 4-Phosphate
[CAS# 101141-95-1]

Identification

• Name: Dopa 4-Phosphate
• Synonyms: (2S)-2-Amino-3-(3-Hydroxy-4-Phosphonooxy-Phenyl)Propanoic Acid; (2S)-2-Amino-3-(3-Hydroxy-4-Phosphonooxy-Phenyl)Propionic Acid; Dopa 4-Phosphate
• Molecular Formula: C₉H₁₂NO₇P
• Molecular Weight: 277.17
• CAS Registry Number: 101141-95-1
• SMILES: [C@H](CC1=CC(=C(O[P](=O)(O)O)C=C1)O)(C(O)=O)N
• InChI: 1S/C9H12NO7P/c10-6(9(12)13)3-5-1-2-8(7(11)4-5)17-18(14,15)16/h1-2,4,6,11H,3,10H2,(H,12,13)(H2,14,15,16)/t6-/m0/s1
• InChIKey: YNDMEEULGSTYJT-LURJTMIESA-N

Properties

• Density: 1.705g/cm³ (Cal.)
• Boiling point: 575.879°C at 760 mmHg (Cal.)
• Flash point: 302.081°C (Cal.)