[(2R,3R,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-[Hydroxy-[(2R,3R,6R)-3-Hydroxy-6-Methyl-5-Oxo-Oxan-2-Yl]Oxy-Phosphoryl]Oxy-Phosphinic Acid
[CAS# 21870-27-9]

Identification

• Name: [(2R,3R,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-[Hydroxy-[(2R,3R,6R)-3-Hydroxy-6-Methyl-5-Oxo-Oxan-2-Yl]Oxy-Phosphoryl]Oxy-Phosphinic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(2R,3R,6R)-3-Hydroxy-6-Methyl-5-Oxo-Tetrahydropyran-2-Yl]Oxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [Hydroxy-[[(2R,3R,6R)-3-Hydroxy-6-Methyl-5-Oxo-2-Tetrahydropyranyl]Oxy]Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(2R,3R,6R)-3-Hydroxy-5-Keto-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₅H₂₃N₃O₁₄P₂
• Molecular Weight: 531.31
• CAS Registry Number: 21870-27-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[C@H]2O[C@@H](C(=O)C[C@H]2O)C)(=O)O)(=O)O)N3C(=O)N=C(N)C=C3
• InChI: 1S/C15H23N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6,8-9,11-14,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,8-,9-,11-,12-,13-,14-/m1/s1
• InChIKey: DATWFRMXXZBEPM-SNAICPSHSA-N

Properties

• Density: 2.138g/cm³ (Cal.)
• Boiling point: 844.993°C at 760 mmHg (Cal.)
• Flash point: 464.835°C (Cal.)