sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonyl-(4-fluoranyl-2-oxidanyl-phenyl)carbonyl-azanide

Systemtic Name: sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonyl-(4-fluoranyl-2-oxidanyl-phenyl)carbonyl-azanide Openeye Name: sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxysulfonyl-(4-fluoro-2-hydroxy-benzoyl)azanide CAS Name: sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxysulfonyl-[(4-fluoro-2-hydroxyphenyl)-oxomethyl]azanide IUPAC Name: sodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl-(4-fluoro-2-hydroxybenzoyl)azanide Traditional Name: sodium [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxysulfonyl-(4-fluoro-2-hydroxy-benzoyl)azanide Formula: C17H16FN6NaO8S MolecularWeight: 506.397513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)O)C(=O)[N-]S(=O)(=O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1F)O)C(=O)[N-]S(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O.[Na+]

InChI

InChI=1S/C17H17FN6O8S.Na/c18-7-1-2-8(9(25)3-7)16(28)23-33(29,30)31-4-10-12(26)13(27)17(32-10)24-6-22-11-14(19)20-5-21-15(11)24;/h1-3,5-6,10,12-13,17,26-27H,4H2,(H4,19,20,21,23,25,28);/q;+1/p-1/t10-,12-,13-,17-;/m1./s1