[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-fluorosulfonylbenzoate

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 4-fluorosulfonylbenzoate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-fluorosulfonylbenzoate CAS Name: 4-fluorosulfonylbenzoic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate Traditional Name: 4-fluorosulfonylbenzoic acid [(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C17H16FN5O6S MolecularWeight: 437.402243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=C(C=C4)S(=O)(=O)F)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=C(C=C4)S(=O)(=O)F)O

InChI

InChI=1S/C17H16FN5O6S/c18-30(26,27)10-3-1-9(2-4-10)17(25)28-6-12-11(24)5-13(29-12)23-8-22-14-15(19)20-7-21-16(14)23/h1-4,7-8,11-13,24H,5-6H2,(H2,19,20,21)/t11-,12+,13+/m0/s1