[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [Hydroxy-[(2R,3S,4R,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxyphosphoryl] Hydrogen Phosphate
[CAS# 130272-39-8]

Identification

• Name: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [Hydroxy-[(2R,3S,4R,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxyphosphoryl] Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(2R,3S,4R,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [Hydroxy-[[(2R,3S,4R,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[(2R,3S,4R,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₅H₂₃N₅O₁₅P₂
• Molecular Weight: 575.32
• CAS Registry Number: 130272-39-8
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]2C3=C(N=C2)C(=O)N=C(N3)N)CO[P](O[P](O[C@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)(O)=O)(O)=O
• InChI: 1S/C15H23N5O15P2/c16-15-18-11-6(12(26)19-15)17-3-20(11)13-9(24)8(23)5(33-13)2-32-36(27,28)35-37(29,30)34-14-10(25)7(22)4(21)1-31-14/h3-5,7-10,13-14,21-25H,1-2H2,(H,27,28)(H,29,30)(H3,16,18,19,26)/t4-,5-,7-,8-,9-,10+,13-,14-/m1/s1
• InChIKey: YMGVYRGWAJJYOU-AUAPHEICSA-N

Properties

• Density: 2.53g/cm³ (Cal.)
• Boiling point: 1024.732°C at 760 mmHg (Cal.)
• Flash point: 573.538°C (Cal.)