2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-4-Oxo-1H-Pyrrolo[4,5-e]Pyrimidine-5-Carboximidamide
[CAS# 148608-52-0]

Identification

• Name: 2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-4-Oxo-1H-Pyrrolo[4,5-e]Pyrimidine-5-Carboximidamide
• Synonyms: 2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-4-Oxo-1H-Pyrrolo[4,5-E]Pyrimidine-5-Carboxamidine; 2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-4-Oxo-1H-Pyrrolo[4,5-E]Pyrimidine-5-Carboxamidine; 2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-4-Keto-1H-Pyrrolo[4,5-E]Pyrimidine-5-Carboxamidine
• Molecular Formula: C₁₂H₁₆N₆O₅
• Molecular Weight: 324.30
• CAS Registry Number: 148608-52-0
• SMILES: [C@H]3([N]2C1=C(C(N=C(N1)N)=O)C(=C2)C(=N)N)[C@H](O)[C@H](O)[C@H](O3)CO
• InChI: 1S/C12H16N6O5/c13-8(14)3-1-18(9-5(3)10(22)17-12(15)16-9)11-7(21)6(20)4(2-19)23-11/h1,4,6-7,11,19-21H,2H2,(H3,13,14)(H3,15,16,17,22)/t4-,6-,7-,11-/m1/s1
• InChIKey: PEMQXWCOMFJRLS-RPKMEZRRSA-N

Properties

• Density: 2.214g/cm³ (Cal.)
• Boiling point: 750.699°C at 760 mmHg (Cal.)
• Flash point: 407.808°C (Cal.)

References

• (1): Brückl Tobias. A short and efficient synthesis of the tRNA nucleosides PreQ0 and archaeosine, Organic & Biomolecular Chemistry, 2007