Sodium (2R)-2-acetamido-3-[(2-acetamido-5-hydroxyphenyl)sulfanyl]propanoate
[CAS# 52372-86-8]

Identification

• Name: Sodium (2R)-2-acetamido-3-[(2-acetamido-5-hydroxyphenyl)sulfanyl]propanoate
• Synonyms: (2R)-2-Acetamido-3-(5-Acetamido-2-Hydroxy-Phenyl)Sulfanyl-Propanoic Acid; (2R)-2-Acetamido-3-[(5-Acetamido-2-Hydroxyphenyl)Thio]Propanoic Acid; (2R)-2-Acetamido-3-[(5-Acetamido-2-Hydroxy-Phenyl)Thio]Propionic Acid
• Molecular Formula: C₁₃H₁₆N₂O₅S
• Molecular Weight: 312.34
• CAS Registry Number: 52372-86-8
• SMILES: [C@H](NC(=O)C)(CSC1=CC(=CC=C1O)NC(=O)C)C(=O)O
• InChI: 1S/C13H16N2O5S/c1-7(16)14-9-3-4-11(18)12(5-9)21-6-10(13(19)20)15-8(2)17/h3-5,10,18H,6H2,1-2H3,(H,14,16)(H,15,17)(H,19,20)/t10-/m0/s1
• InChIKey: DVPRQNKJGQEICH-JTQLQIEISA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 659.47°C at 760 mmHg (Cal.)
• Flash point: 352.635°C (Cal.)