2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-3H-Purin-6-One
[CAS# 38559-49-8]

Identification

• Name: 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-3H-Purin-6-One
• Synonyms: 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purin-6-One; 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-3H-Purin-6-One; 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-3H-Purin-6-One
• Molecular Formula: C₁₀H₁₃N₅O₄
• Molecular Weight: 267.24
• CAS Registry Number: 38559-49-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO)[N]2C3=C(N=C2)C(=O)N=C(N3)N
• InChI: 1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
• InChIKey: YKBGVTZYEHREMT-KVQBGUIXSA-N

Properties

• Density: 2.085g/cm³ (Cal.)
• Boiling point: 725.475°C at 760 mmHg (Cal.)
• Flash point: 392.553°C (Cal.)

References

• (1): Wang et al.. Phosphorothioation of DNA in bacteria by dnd genes, Nature Chemical Biology, 2007