[[(2S,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-Hydroxyoxolan-2-Yl]-Phosphonooxymethyl] Dihydrogen Phosphate
[CAS# 3237-37-4]

Identification

• Name: [[(2S,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-Hydroxyoxolan-2-Yl]-Phosphonooxymethyl] Dihydrogen Phosphate
• Synonyms: [[(2S,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]-Phosphonooxy-Methyl] Dihydrogen Phosphate; [[(2S,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-Hydroxy-2-Tetrahydrofuranyl]-Phosphonooxymethyl] Dihydrogen Phosphate; [[(2S,3S,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]-Phosphonooxy-Methyl] Dihydrogen Phosphate
• Molecular Formula: C₁₀H₁₅N₅O₁₁P₂
• Molecular Weight: 443.20
• CAS Registry Number: 3237-37-4
• SMILES: [C@@H]3(O[C@@H]([N]1C2=C(N=C1)C(=O)N=C(N2)N)C[C@@H]3O)C(O[P](O)(O)=O)O[P](O)(O)=O
• InChI: 1S/C10H15N5O11P2/c11-10-13-7-5(8(17)14-10)12-2-15(7)4-1-3(16)6(24-4)9(25-27(18,19)20)26-28(21,22)23/h2-4,6,9,16H,1H2,(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,4+,6-/m0/s1
• InChIKey: JUPWAMVUQSUYGY-RPDRRWSUSA-N

Properties

• Density: 2.633g/cm³ (Cal.)
• Boiling point: 999.333°C at 760 mmHg (Cal.)
• Flash point: 558.177°C (Cal.)