[(4R,5R)-5-(6-aminopurin-9-yl)-2-(methylsulfonyloxymethyl)-4-oxidanyl-oxolan-2-yl]methyl methanesulfonate

Systemtic Name: [(4R,5R)-5-(6-aminopurin-9-yl)-2-(methylsulfonyloxymethyl)-4-oxidanyl-oxolan-2-yl]methyl methanesulfonate Openeye Name: [(4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfonyloxymethyl)tetrahydrofuran-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [(4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfonyloxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [(4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfonyloxymethyl)oxolan-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(4R,5R)-5-adenin-9-yl-4-hydroxy-2-(methylsulfonyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C13H19N5O8S2 MolecularWeight: 437.44866

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1(CC(C(O1)N2C=NC3=C2N=CN=C3N)O)COS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OCC1(C[C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)COS(=O)(=O)C

InChI

InChI=1S/C13H19N5O8S2/c1-27(20,21)24-4-13(5-25-28(2,22)23)3-8(19)12(26-13)18-7-17-9-10(14)15-6-16-11(9)18/h6-8,12,19H,3-5H2,1-2H3,(H2,14,15,16)/t8-,12-/m1/s1