1-[(2R,3R,4R,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-(4-Methylphenyl)Sulfonyloxy-Oxolan-2-Yl]Pyrimidine-2,4-Dione
[CAS# 6206-10-6]

Identification

• Name: 1-[(2R,3R,4R,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-(4-Methylphenyl)Sulfonyloxy-Oxolan-2-Yl]Pyrimidine-2,4-Dione
• Synonyms: [(2R,3R,4R,5R)-2-(2,4-Dioxopyrimidin-1-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Yl] 4-Methylbenzenesulfonate; 4-Methylbenzenesulfonic Acid [(2R,3R,4R,5R)-2-(2,4-Dioxo-1-Pyrimidinyl)-4-Hydroxy-5-(Hydroxymethyl)-3-Tetrahydrofuranyl] Ester; 4-Methylbenzenesulfonic Acid [(2R,3R,4R,5R)-2-(2,4-Diketopyrimidin-1-Yl)-4-Hydroxy-5-Methylol-Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₆H₁₈N₂O₈S
• Molecular Weight: 398.39
• CAS Registry Number: 6206-10-6
• SMILES: [C@H]2(O[S](=O)(=O)C1=CC=C(C=C1)C)[C@@H](O[C@@H]([C@H]2O)CO)N3C(=O)NC(=O)C=C3
• InChI: 1S/C16H18N2O8S/c1-9-2-4-10(5-3-9)27(23,24)26-14-13(21)11(8-19)25-15(14)18-7-6-12(20)17-16(18)22/h2-7,11,13-15,19,21H,8H2,1H3,(H,17,20,22)/t11-,13-,14-,15-/m1/s1
• InChIKey: PELFVTNUPTXPNF-NMFUWQPSSA-N

Properties

• Density: 1.619g/cm³ (Cal.)