6-Amino-9-[3-Hydroxy-5-[(Hydroxy-Sulfooxy-Phosphoryl)Oxymethyl]-4-Phosphonooxy-Oxolan-2-Yl]-Purine
[CAS# 482-67-7]

Identification

• Name: 6-Amino-9-[3-Hydroxy-5-[(Hydroxy-Sulfooxy-Phosphoryl)Oxymethyl]-4-Phosphonooxy-Oxolan-2-Yl]-Purine
• Synonyms: [5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methyl Sulfo Hydrogen Phosphate; [5-(6-Amino-9-Purinyl)-4-Hydroxy-3-Phosphonooxy-2-Tetrahydrofuranyl]Methyl Sulfo Hydrogen Phosphate; [5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Oxolan-2-Yl]Methyl Sulfo Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₅N₅O₁₃P₂S
• Molecular Weight: 507.26
• CAS Registry Number: 482-67-7
• SMILES: C1=NC3=C([N]1C2C(C(O[P](=O)(O)O)C(O2)CO[P](O[S](=O)(=O)O)(=O)O)O)N=CN=C3N
• InChI: 1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)
• InChIKey: GACDQMDRPRGCTN-UHFFFAOYSA-N

Properties

• Density: 2.566g/cm³ (Cal.)