[5-(5-Aminoimidazol-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxyphosphonic Acid
[CAS# 25635-88-5]

Identification

• Name: [5-(5-Aminoimidazol-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxyphosphonic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(5-Aminoimidazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(5-Amino-1-Imidazolyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(5-Aminoimidazol-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₈H₁₄N₃O₇P
• Molecular Weight: 295.19
• CAS Registry Number: 25635-88-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](=O)(O)O)[N]2C(=CN=C2)N
• InChI: 1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/t4-,6-,7-,8-/m1/s1
• InChIKey: PDACUKOKVHBVHJ-XVFCMESISA-N

Properties

• Density: 2.161g/cm³ (Cal.)
• Boiling point: 774.049°C at 760 mmHg (Cal.)
• Flash point: 421.93°C (Cal.)

References

• (1): Jenkins et al.. A New Thiamin Salvage Pathway, Nature Chemical Biology, 2007