[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-N-(2-Sulfanylethyl)Phosphonamidic Acid
[CAS# 108490-60-4]

Identification

• Name: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Oxy-N-(2-Sulfanylethyl)Phosphonamidic Acid
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-N-(2-Sulfanylethyl)Phosphonamidic Acid; [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-N-(2-Mercaptoethyl)Phosphonamidic Acid; [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-N-(2-Mercaptoethyl)Phosphonamidic Acid
• Molecular Formula: C₁₂H₂₀N₆O₉P₂S
• Molecular Weight: 486.33
• CAS Registry Number: 108490-60-4
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](=O)(O)NCCS)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C12H20N6O9P2S/c13-10-7-11(15-4-14-10)18(5-16-7)12-9(20)8(19)6(26-12)3-25-29(23,24)27-28(21,22)17-1-2-30/h4-6,8-9,12,19-20,30H,1-3H2,(H,23,24)(H2,13,14,15)(H2,17,21,22)/t6-,8-,9-,12-/m1/s1
• InChIKey: FPIGRWUROXHTJS-WOUKDFQISA-N

Properties

• Density: 2.218g/cm³ (Cal.)
• Boiling point: 845.624°C at 760 mmHg (Cal.)
• Flash point: 465.217°C (Cal.)