6-Amino-9-[3,4-Dihydroxy-5-[(Hydroxy-Sulfooxy-Phosphoryl)Oxymethyl]Oxolan-2-Yl]-Purine
[CAS# 485-84-7]

Identification

• Name: 6-Amino-9-[3,4-Dihydroxy-5-[(Hydroxy-Sulfooxy-Phosphoryl)Oxymethyl]Oxolan-2-Yl]-Purine
• Synonyms: [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Sulfo Hydrogen Phosphate; [5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Sulfo Hydrogen Phosphate; [5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Sulfo Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₄N₅O₁₀PS
• Molecular Weight: 427.28
• CAS Registry Number: 485-84-7
• SMILES: C1=NC3=C([N]1C2OC(CO[P](O[S](=O)(=O)O)(O)=O)C(C2O)O)N=CN=C3N
• InChI: 1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)
• InChIKey: IRLPACMLTUPBCL-UHFFFAOYSA-N

Properties

• Density: 2.423g/cm³ (Cal.)