[(2R,5S)-5-(4-Amino-5-Fluoro-2,6-Dioxo-3H-Pyrimidin-1-Yl)-1,3-Oxathiolan-2-Yl]Methyl-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphinic Acid
[CAS# 145819-92-7]

Identification

• Name: [(2R,5S)-5-(4-Amino-5-Fluoro-2,6-Dioxo-3H-Pyrimidin-1-Yl)-1,3-Oxathiolan-2-Yl]Methyl-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphinic Acid
• Synonyms: [(2R,5S)-5-(4-Amino-5-Fluoro-2,6-Dioxo-3H-Pyrimidin-1-Yl)-1,3-Oxathiolan-2-Yl]Methyl-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphinic Acid; [(2R,5S)-5-(4-Amino-5-Fluoro-2,6-Diketo-3H-Pyrimidin-1-Yl)-1,3-Oxathiolan-2-Yl]Methyl-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphinic Acid; 5-Fluoro-1-(2-Hydroxymethyl)-1,3-Oxathiolane-5-Yl-Cytidine-5'-Triphosphate
• Molecular Formula: C₈H₁₃FN₃O₁₂P₃S
• Molecular Weight: 487.18
• CAS Registry Number: 145819-92-7
• SMILES: [C@@H]1(O[C@H](SC1)C[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O)N2C(=O)C(=C(NC2=O)N)F
• InChI: 1S/C8H13FN3O12P3S/c9-5-6(10)11-8(14)12(7(5)13)3-2-28-4(22-3)1-25(15,16)23-27(20,21)24-26(17,18)19/h3-4H,1-2,10H2,(H,11,14)(H,15,16)(H,20,21)(H2,17,18,19)/t3-,4+/m0/s1
• InChIKey: HMDQWIZLWLZUAZ-IUYQGCFVSA-N

Properties

• Density: 2.081g/cm³ (Cal.)