[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[bis(oxidanyl)phosphinothioyloxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] cyclohexanecarboxylate

Systemtic Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[bis(oxidanyl)phosphinothioyloxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] cyclohexanecarboxylate Openeye Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[dihydroxyphosphinothioyloxy(hydroxy)phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[dihydroxyphosphinothioyloxy(hydroxy)phosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[dihydroxyphosphinothioyloxy(hydroxy)phosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [(2R,3R,4R,5R)-2-adenin-9-yl-5-[[dihydroxythiophosphoryloxy(hydroxy)phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] ester Formula: C17H25N5O10P2S MolecularWeight: 553.420422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2C(C(OC2N3C=NC4=C3N=CN=C4N)COP(=O)(O)OP(=S)(O)O)O

Isomeric SMILES

C1CCC(CC1)C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C3N=CN=C4N)COP(=O)(O)OP(=S)(O)O)O

InChI

InChI=1S/C17H25N5O10P2S/c18-14-11-15(20-7-19-14)22(8-21-11)16-13(31-17(24)9-4-2-1-3-5-9)12(23)10(30-16)6-29-33(25,26)32-34(27,28)35/h7-10,12-13,16,23H,1-6H2,(H,25,26)(H2,18,19,20)(H2,27,28,35)/t10-,12-,13-,16-/m1/s1