[[(2S,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)Oxolan-2-Yl]-Phosphonooxymethyl] Phosphono Hydrogen Phosphate
[CAS# 77423-48-4]

Identification

• Name: [[(2S,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxopyrimidin-1-Yl)Oxolan-2-Yl]-Phosphonooxymethyl] Phosphono Hydrogen Phosphate
• Synonyms: [[(2S,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]-Phosphonooxy-Methyl] Phosphono Hydrogen Phosphate; [[(2S,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]-Phosphonooxymethyl] Phosphono Hydrogen Phosphate; [[(2S,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]-Phosphonooxy-Methyl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₇N₂O₁₅P₃
• Molecular Weight: 498.17
• CAS Registry Number: 77423-48-4
• SMILES: [C@@H]2(O[C@@H](N1C(=O)NC(=O)C(=C1)C)C[C@@H]2O)C(O[P](O[P](=O)(O)O)(=O)O)O[P](=O)(O)O
• InChI: 1S/C10H17N2O15P3/c1-4-3-12(10(15)11-8(4)14)6-2-5(13)7(24-6)9(25-28(16,17)18)26-30(22,23)27-29(19,20)21/h3,5-7,9,13H,2H2,1H3,(H,22,23)(H,11,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6+,7-,9?/m0/s1
• InChIKey: BYJABPFCUYTWLZ-WPRFRAJKSA-N

Properties

• Density: 2.022g/cm³ (Cal.)