(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(4-nitrophenoxy)-oxidanyl-phosphinothioyl]oxymethyl]oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(4-nitrophenoxy)-oxidanyl-phosphinothioyl]oxymethyl]oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxymethyl]tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-adenin-9-yl-5-[[hydroxy-(4-nitrophenoxy)thiophosphoryl]oxymethyl]tetrahydrofuran-3,4-diol Formula: C16H17N6O8PS MolecularWeight: 484.380341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N6O8PS/c17-14-11-15(19-6-18-14)21(7-20-11)16-13(24)12(23)10(29-16)5-28-31(27,32)30-9-3-1-8(2-4-9)22(25)26/h1-4,6-7,10,12-13,16,23-24H,5H2,(H,27,32)(H2,17,18,19)/t10-,12-,13-,16-,31?/m1/s1