[[(2R,3S,4R,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[5-(6-nonoxypurin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[5-(6-nonoxypurin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [[3,4-dihydroxy-5-(6-nonoxypurin-7-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [[3,4-dihydroxy-5-(6-nonoxy-7-purinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl] [[(2R,3S,4R,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: [[3,4-dihydroxy-5-(6-nonoxypurin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [[3,4-dihydroxy-5-(6-nonoxypurin-7-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[(2R,3S,4R,5S)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C28H43N6O19P3 MolecularWeight: 860.591103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=NC=NC2=C1N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)O)O)O)O

Isomeric SMILES

CCCCCCCCCOC1=NC=NC2=C1N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)N5C=CC(=O)NC5=O)O)O)O)O

InChI

InChI=1S/C28H43N6O19P3/c1-2-3-4-5-6-7-8-11-47-25-19-24(29-14-30-25)31-15-34(19)27-23(39)21(37)17(51-27)13-49-55(43,44)53-56(45,46)52-54(41,42)48-12-16-20(36)22(38)26(50-16)33-10-9-18(35)32-28(33)40/h9-10,14-17,20-23,26-27,36-39H,2-8,11-13H2,1H3,(H,41,42)(H,43,44)(H,45,46)(H,32,35,40)/t16-,17?,20-,21?,22-,23?,26+,27?/m1/s1