(2S)-2-Amino-3-[2-[[Amino-(Phosphonoamino)Methylidene]Amino]Ethoxy-Hydroxyphosphoryl]Oxypropanoic Acid
[CAS# 3160-53-0]

Identification

• Name: (2S)-2-Amino-3-[2-[[Amino-(Phosphonoamino)Methylidene]Amino]Ethoxy-Hydroxyphosphoryl]Oxypropanoic Acid
• Synonyms: (2S)-2-Amino-3-[2-[[Amino-(Phosphonoamino)Methylene]Amino]Ethoxy-Hydroxy-Phosphoryl]Oxy-Propanoic Acid; (2S)-2-Amino-3-[2-[[Amino-(Phosphonoamino)Methylene]Amino]Ethoxy-Hydroxyphosphoryl]Oxypropanoic Acid; (2S)-2-Amino-3-[2-[[Amino-(Phosphonoamino)Methylene]Amino]Ethoxy-Hydroxy-Phosphoryl]Oxy-Propionic Acid
• Molecular Formula: C₆H₁₆N₄O₉P₂
• Molecular Weight: 350.16
• CAS Registry Number: 3160-53-0
• SMILES: [C@H](N)(CO[P](OCCN=C(N[P](O)(O)=O)N)(O)=O)C(O)=O
• InChI: 1S/C6H16N4O9P2/c7-4(5(11)12)3-19-21(16,17)18-2-1-9-6(8)10-20(13,14)15/h4H,1-3,7H2,(H,11,12)(H,16,17)(H5,8,9,10,13,14,15)/t4-/m0/s1
• InChIKey: QOYUHKALUMVCHB-BYPYZUCNSA-N

Properties

• Density: 2.095g/cm³ (Cal.)
• Boiling point: 675.018°C at 760 mmHg (Cal.)
• Flash point: 362.038°C (Cal.)