[(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-azanyl-2H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-azanyl-2H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-amino-2H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-2,4-dihydroxy-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-amino-2H-purin-9-ium-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxy-3-oxolanyl] ester IUPAC Name: [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-amino-2H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-amino-2H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-2,4-dihydroxy-tetrahydrofuran-3-yl] ester Formula: C17H26N5O15P2+ MolecularWeight: 602.360362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)[N+]3=CN=C4C3=NCN=C4N)O)O)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[N+]3=CN=C4C3=NCN=C4N)O)O)O

InChI

InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h5,7-8,10-13,16-17,24-27H,2-4H2,1H3,(H3-,18,19,28,29,30,31)/p+1/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1