[(2R,3S,5R)-5-[4-(6-Aminohexylamino)-2-Oxopyrimidin-1-Yl]-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 110537-14-9]

Identification

• Name: [(2R,3S,5R)-5-[4-(6-Aminohexylamino)-2-Oxopyrimidin-1-Yl]-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-5-[4-(6-Aminohexylamino)-2-Oxo-Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-[4-(6-Aminohexylamino)-2-Oxo-1-Pyrimidinyl]-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-[4-(6-Aminohexylamino)-2-Keto-Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₅H₂₉N₄O₁₃P₃
• Molecular Weight: 566.33
• CAS Registry Number: 110537-14-9
• 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)N=C(NCCCCCCN)C=C2
• InChI: 1S/C15H29N4O13P3/c16-6-3-1-2-4-7-17-13-5-8-19(15(21)18-13)14-9-11(20)12(30-14)10-29-34(25,26)32-35(27,28)31-33(22,23)24/h5,8,11-12,14,20H,1-4,6-7,9-10,16H2,(H,25,26)(H,27,28)(H,17,18,21)(H2,22,23,24)/t11-,12+,14+/m0/s1
• InChIKey: HGJARKVELPNKKU-OUCADQQQSA-N

Properties

• Density: 1.91g/cm³ (Cal.)
• Boiling point: 819.885°C at 760 mmHg (Cal.)
• Flash point: 449.65°C (Cal.)