(4aR,6R,7R,7aS)-6-(6-Amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
[CAS# 85187-54-8]

Identification

• Name: (4aR,6R,7R,7aS)-6-(6-Amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
• Synonyms: (1S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3,9-dihydroxy-2,4,7-trioxa-3-phosphabicyclo[4.3.0]nonan-3-one; (2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide; (4aR,6R,7R,7aS)-6-(6-Aminopurin-9-yl)-2-oxo-tetrahydro-2-λ*5*-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol
• Molecular Formula: C₁₀H₁₂N₅O₆P
• Molecular Weight: 329.21
• CAS Registry Number: 85187-54-8
• SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O1)O
• InChI: 1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
• InChIKey: IVOMOUWHDPKRLL-KQYNXXCUSA-N

Properties

• Density: 2.5±0.1g/cm³ (Cal.)
• Boiling point: 701.5±70.0°C at 760 mmHg (Cal.)
• Flash point: 378.0±35.7°C (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Yuan et al.. Absolute Metabolite Concentrations and Implied Enzyme Active Site Occupancy in Escherichia coli, Nature Chemical Biology, 2009