[(2R,3S,5S)-5-(5,6-Dihydroxy-5-Methyl-2,4-Dioxo-1,3-Diazinan-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 106094-52-4]

Identification

• Name: [(2R,3S,5S)-5-(5,6-Dihydroxy-5-Methyl-2,4-Dioxo-1,3-Diazinan-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5S)-5-(5,6-Dihydroxy-5-Methyl-2,4-Dioxo-Hexahydropyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5S)-5-(5,6-Dihydroxy-5-Methyl-2,4-Dioxo-1-Hexahydropyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5S)-5-(5,6-Dihydroxy-2,4-Diketo-5-Methyl-Hexahydropyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₉N₂O₁₆P₃
• Molecular Weight: 516.19
• CAS Registry Number: 106094-52-4
• SMILES: [C@@H]1(O[C@@H]([C@@H](O)C1)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(O)C(O)(C(=O)NC2=O)C
• InChI: 1S/C10H19N2O16P3/c1-10(17)7(14)11-9(16)12(8(10)15)6-2-4(13)5(26-6)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h4-6,8,13,15,17H,2-3H2,1H3,(H,21,22)(H,23,24)(H,11,14,16)(H2,18,19,20)/t4-,5+,6-,8?,10?/m0/s1
• InChIKey: IJWFNGSBJBRLIA-IKGVZUFCSA-N

Properties

• Density: 2.049g/cm³ (Cal.)