[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-(4-methoxy-3,3-dimethyl-2-oxidanyl-butanoyl)sulfamate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-(4-methoxy-3,3-dimethyl-2-oxidanyl-butanoyl)sulfamate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl N-(2-hydroxy-4-methoxy-3,3-dimethyl-butanoyl)sulfamate CAS Name: N-(2-hydroxy-4-methoxy-3,3-dimethyl-1-oxobutyl)sulfamic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-hydroxy-4-methoxy-3,3-dimethylbutanoyl)sulfamate Traditional Name: N-(2-hydroxy-4-methoxy-3,3-dimethyl-butanoyl)sulfamic acid [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H26N6O9S MolecularWeight: 490.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC)C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O

Isomeric SMILES

CC(C)(COC)C(C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O)O

InChI

InChI=1S/C17H26N6O9S/c1-17(2,5-30-3)12(26)15(27)22-33(28,29)31-4-8-10(24)11(25)16(32-8)23-7-21-9-13(18)19-6-20-14(9)23/h6-8,10-12,16,24-26H,4-5H2,1-3H3,(H,22,27)(H2,18,19,20)/t8-,10-,11-,12?,16-/m1/s1