[(2R,3S,5S)-3-Hydroxy-5-[(5S)-5-Methyl-2,4-Dioxo-1,3-Diazinan-1-Yl]Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 106094-51-3]

Identification

• Name: [(2R,3S,5S)-3-Hydroxy-5-[(5S)-5-Methyl-2,4-Dioxo-1,3-Diazinan-1-Yl]Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5S)-3-Hydroxy-5-[(5S)-5-Methyl-2,4-Dioxo-Hexahydropyrimidin-1-Yl]Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5S)-3-Hydroxy-5-[(5S)-5-Methyl-2,4-Dioxo-1-Hexahydropyrimidinyl]-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5S)-5-[(5S)-2,4-Diketo-5-Methyl-Hexahydropyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₉N₂O₁₄P₃
• Molecular Weight: 484.19
• CAS Registry Number: 106094-51-3
• SMILES: [C@@H]1(CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[C@@H](O)C[C@H](O1)N2C(=O)NC(=O)[C@@H](C)C2
• InChI: 1S/C10H19N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h5-8,13H,2-4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t5-,6-,7+,8-/m0/s1
• InChIKey: ITMRZQUODDZEEY-HSNKUXOKSA-N

Properties

• Density: 1.865g/cm³ (Cal.)