[(2R,3S,5R)-5-(2-Amino-6,8-Dioxo-3,7-Dihydropurin-9-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 139307-94-1]

Identification

• Name: [(2R,3S,5R)-5-(2-Amino-6,8-Dioxo-3,7-Dihydropurin-9-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-5-(2-Amino-6,8-Dioxo-3,7-Dihydropurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6,8-Dioxo-3,7-Dihydropurin-9-Yl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6,8-Diketo-3,7-Dihydropurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₆N₅O₁₄P₃
• Molecular Weight: 523.18
• CAS Registry Number: 139307-94-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C3=C(NC2=O)C(=O)N=C(N3)N
• InChI: 1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1
• InChIKey: BUZOGVVQWCXXDP-VPENINKCSA-N

Properties

• Density: 2.759g/cm³ (Cal.)