3'-(N-methyl-1,4-dihydronicotinoyl)-5'-pivaloyltrifluorothymidine
[CAS# 104987-44-2]

Identification

• Name: 3'-(N-methyl-1,4-dihydronicotinoyl)-5'-pivaloyltrifluorothymidine
• Synonyms: [(2R,3S)-2-(2,2-Dimethylpropanoyloxymethyl)-5-[2,4-Dioxo-5-(Trifluoromethyl)Pyrimidin-1-Yl]Tetrahydrofuran-3-Yl] 1-Methyl-4H-Pyridine-3-Carboxylate; 1-Methyl-4H-Pyridine-3-Carboxylic Acid [(2R,3S)-2-[(2,2-Dimethyl-1-Oxopropoxy)Methyl]-5-[2,4-Dioxo-5-(Trifluoromethyl)-1-Pyrimidinyl]-3-Tetrahydrofuranyl] Ester; 1-Methyl-4H-Pyridine-3-Carboxylic Acid [(2R,3S)-5-[2,4-Diketo-5-(Trifluoromethyl)Pyrimidin-1-Yl]-2-(Pivaloyloxymethyl)Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₂₂H₂₆F₃N₃O₇
• Molecular Weight: 501.46
• CAS Registry Number: 104987-44-2
• SMILES: N3(C2O[C@@H]([C@@H](OC(=O)C1=CN(C=CC1)C)C2)COC(=O)C(C)(C)C)C(=O)NC(=O)C(=C3)C(F)(F)F
• InChI: 1S/C22H26F3N3O7/c1-21(2,3)19(31)33-11-15-14(35-18(30)12-6-5-7-27(4)9-12)8-16(34-15)28-10-13(22(23,24)25)17(29)26-20(28)32/h5,7,9-10,14-16H,6,8,11H2,1-4H3,(H,26,29,32)/t14-,15+,16?/m0/s1
• InChIKey: PUUXKDCZTQOAGJ-QMRHZFGWSA-N

Properties

• Density: 1.407g/cm³ (Cal.)