[(2R,3S,4R,5R)-5-[4-(6-Aminohexylamino)-2-Oxopyrimidin-1-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS 123354-89-2]

Identification

• Name: [(2R,3S,4R,5R)-5-[4-(6-Aminohexylamino)-2-Oxopyrimidin-1-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-[4-(6-Aminohexylamino)-2-Oxo-Pyrimidin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[4-(6-Aminohexylamino)-2-Oxo-1-Pyrimidinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-[4-(6-Aminohexylamino)-2-Keto-Pyrimidin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₅H₂₉N₄O₁₄P₃
• Molecular Weight: 582.33
• CAS Registry Number: 123354-89-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)N=C(NCCCCCCN)C=C2
• InChI: 1S/C15H29N4O14P3/c16-6-3-1-2-4-7-17-11-5-8-19(15(22)18-11)14-13(21)12(20)10(31-14)9-30-35(26,27)33-36(28,29)32-34(23,24)25/h5,8,10,12-14,20-21H,1-4,6-7,9,16H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t10-,12-,13-,14-/m1/s1
• InChIKey: NJPVHOPQAANYKF-FMKGYKFTSA-N