1-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Thiolan-2-Yl]-5-Methylpyrimidine-2,4-Dione
[CAS# 134111-33-4]

Identification

• Name: 1-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Thiolan-2-Yl]-5-Methylpyrimidine-2,4-Dione
• Synonyms: 1-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrothiophen-2-Yl]-5-Methyl-Pyrimidine-2,4-Dione; 1-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrothiophenyl]-5-Methylpyrimidine-2,4-Dione; 1-[(2R,4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrothiophen-2-Yl]-5-Methyl-Pyrimidine-2,4-Quinone
• Molecular Formula: C₁₀H₁₄N₂O₄S
• Molecular Weight: 258.29
• CAS Registry Number: 134111-33-4
• SMILES: [C@H]1(S[C@@H]([C@@H](O)C1)CO)N2C(=O)NC(=O)C(=C2)C
• InChI: 1S/C10H14N2O4S/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
• InChIKey: IVUDHNYLTWOARV-XLPZGREQSA-N

Properties

• Density: 1.474g/cm³ (Cal.)

References

• (1): Hiroko Koyama, Siqin, Zhouen Zhang, Kengo Sumi, Yuma Hatta, Hiroko Nagata, Hisashi Doi and Masaaki Suzuki. Highly efficient syntheses of [methyl-11C]thymidine and its analogue 4′-[methyl-11C]thiothymidine as nucleoside PET probes for cancer cell proliferation by Pd0-mediated rapid C-[C]methylation, Org. Biomol. Chem., 2011, 9, 4287.