[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (2-adenin-9-yl-4-hydroxy-5-methylol-tetrahydrofuran-3-yl) ester Formula: C11H12F3N5O6S MolecularWeight: 399.30309

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H12F3N5O6S/c12-11(13,14)26(22,23)25-7-6(21)4(1-20)24-10(7)19-3-18-5-8(15)16-2-17-9(5)19/h2-4,6-7,10,20-21H,1H2,(H2,15,16,17)