6-Mercaptopurine Riboside
[CAS# 4988-64-1]

Identification

• Name: 6-Mercaptopurine Riboside
• Synonyms: 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purine-6-Thione; 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-3H-Purine-6-Thione; 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-3H-Purine-6-Thione
• Molecular Formula: C₁₀H₁₂N₄O₄S
• Molecular Weight: 284.29
• CAS Registry Number: 4988-64-1
• SMILES: [C@H]1(O)[C@@H](O[C@@H]([C@H]1O)CO)[N]2C3=C(N=C2)C(=S)N=CN3
• InChI: 1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1
• InChIKey: NKGPJODWTZCHGF-KQYNXXCUSA-N

Properties

• Density: 2.03g/cm³ (Cal.)
• Boiling point: 714.67°C at 760 mmHg (Cal.)
• Flash point: 386.019°C (Cal.)

References

• (1): Grazyna Wenska, Piotr Filipiak, Gotard Burdziński, Tomasz Pedzinski, Gordon L. Hug and Zofia Gdaniec. Photocycloaddition of the T excited state of thioinosine to uridine and adenosine, Photochem. Photobiol. Sci., 2009, 8, 1379.