[(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)Oxolan-3-Yl] [(2R,3S,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
[CAS# 36786-90-0]

Identification

• Name: [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)Oxolan-3-Yl] [(2R,3S,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)-3-Tetrahydrofuranyl] [(2R,3S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₁₉H₂₆N₈O₁₃P₂
• Molecular Weight: 636.41
• CAS Registry Number: 36786-90-0
• SMILES: [C@H]3(O[C@@H]([C@@H](O[P](OC[C@H]2O[C@@H](N1C(=O)N=C(N)C=C1)C[C@@H]2O)(=O)O)C3)CO[P](=O)(O)O)[N]4C5=C(N=C4)C(=O)N=C(N5)N
• InChI: 1S/C19H26N8O13P2/c20-12-1-2-26(19(30)23-12)13-3-8(28)10(38-13)5-37-42(34,35)40-9-4-14(39-11(9)6-36-41(31,32)33)27-7-22-15-16(27)24-18(21)25-17(15)29/h1-2,7-11,13-14,28H,3-6H2,(H,34,35)(H2,20,23,30)(H2,31,32,33)(H3,21,24,25,29)/t8-,9-,10+,11+,13+,14+/m0/s1
• InChIKey: IBZPKQZTZXRCKY-WKSZEZMPSA-N

Properties

• Density: 2.268g/cm³ (Cal.)
• Boiling point: 1053.791°C at 760 mmHg (Cal.)
• Flash point: 591.112°C (Cal.)