Pyrophosphohistidine
[CAS# 100764-00-9]

Identification

• Name: Pyrophosphohistidine
• Synonyms: (2S)-2-Amino-3-[1-(Hydroxy-Phosphonooxy-Phosphoryl)Imidazol-4-Yl]Propanoic Acid; (2S)-2-Amino-3-[1-(Hydroxy-Phosphonooxyphosphoryl)-4-Imidazolyl]Propanoic Acid; (2S)-2-Amino-3-[1-(Hydroxy-Phosphonooxy-Phosphoryl)Imidazol-4-Yl]Propionic Acid
• Molecular Formula: C₆H₁₁N₃O₈P₂
• Molecular Weight: 315.12
• CAS Registry Number: 100764-00-9
• SMILES: [C@H](C(=O)O)(N)CC1=C[N](C=N1)[P](=O)(O[P](=O)(O)O)O
• InChI: 1S/C6H11N3O8P2/c7-5(6(10)11)1-4-2-9(3-8-4)18(12,13)17-19(14,15)16/h2-3,5H,1,7H2,(H,10,11)(H,12,13)(H2,14,15,16)/t5-/m0/s1
• InChIKey: BYJLVVUFWOYJOM-YFKPBYRVSA-N

Properties

• Density: 2.228g/cm³ (Cal.)
• Boiling point: 700.47°C at 760 mmHg (Cal.)
• Flash point: 377.431°C (Cal.)