[[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R,4S,5R)-3-(6-aminopurin-9-yl)-4,5-bis(oxidanyl)-1,2-dioxolan-1-ium-1-yl]oxy hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R,4S,5R)-3-(6-aminopurin-9-yl)-4,5-bis(oxidanyl)-1,2-dioxolan-1-ium-1-yl]oxy hydrogen phosphate Openeye Name: [(3R,4S,5R)-3-(6-aminopurin-9-yl)-4,5-dihydroxy-dioxolan-1-ium-1-yl]oxy [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [[(3R,4S,5R)-3-(6-aminopurin-9-yl)-4,5-dihydroxy-1-dioxolan-1-iumyl]dioxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [(3R,4S,5R)-3-(6-aminopurin-9-yl)-4,5-dihydroxydioxolan-1-ium-1-yl]oxy [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [(3R,4S,5R)-3-adenin-9-yl-4,5-dihydroxy-dioxolan-1-ium-1-yl]oxy [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C19H25N7O16P2+2 MolecularWeight: 669.386622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OO[O+]3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OO[O+]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N

InChI

InChI=1S/C19H23N7O16P2/c20-14-10-16(23-6-22-14)26(7-24-10)18-13(29)19(31)42(38-18)39-40-44(34,35)41-43(32,33)36-5-9-11(27)12(28)17(37-9)25-3-1-2-8(4-25)15(21)30/h1-4,6-7,9,11-13,17-19,27-29,31H,5H2,(H4-2,20,21,22,23,30,32,33,34,35)/p+2/t9-,11-,12-,13+,17-,18-,19-/m1/s1