[(2R,3S,4S,5R)-5-(4-Aminopyrrolo[3,2-e]Pyrimidin-7-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 78153-66-9]

Identification

• Name: [(2R,3S,4S,5R)-5-(4-Aminopyrrolo[3,2-e]Pyrimidin-7-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,4S,5R)-5-(4-Aminopyrrolo[3,2-E]Pyrimidin-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4S,5R)-5-(4-Amino-7-Pyrrolo[3,2-E]Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4S,5R)-5-(4-Aminopyrrolo[3,2-E]Pyrimidin-7-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₁H₁₇N₄O₁₃P₃
• Molecular Weight: 506.20
• CAS Registry Number: 78153-66-9
• 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)[N]2C3=C(C=C2)C(=NC=N3)N
• InChI: 1S/C11H17N4O13P3/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(17)7(16)6(26-11)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,4,6-8,11,16-17H,3H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+,11-/m1/s1
• InChIKey: GVVRDIINMFAFEO-HGIWHZBTSA-N

Properties

• Density: 2.484g/cm³ (Cal.)
• Boiling point: 929.194°C at 760 mmHg (Cal.)
• Flash point: 515.758°C (Cal.)