[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Methanesulfonic Acid
[CAS# 136439-85-5]

Identification

• Name: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl]Methanesulfonic Acid
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Methanesulfonic Acid; [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Methanesulfonic Acid; [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Methanesulfonic Acid
• Molecular Formula: C₁₁H₁₇N₅O₁₂P₂S
• Molecular Weight: 505.29
• CAS Registry Number: 136439-85-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)[C@H]1O)CO[P](=O)(O)C[S](=O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C11H17N5O12P2S/c12-9-6-10(14-2-13-9)16(3-15-6)11-7(17)8(28-30(20,21)22)5(27-11)1-26-29(18,19)4-31(23,24)25/h2-3,5,7-8,11,17H,1,4H2,(H,18,19)(H2,12,13,14)(H2,20,21,22)(H,23,24,25)/t5-,7-,8-,11-/m1/s1
• InChIKey: JXHZTCWFXMKILW-IOSLPCCCSA-N

Properties

• Density: 2.438g/cm³ (Cal.)