(2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]-4-phosphonooxy-oxolan-3-yl]oxymethyl]-2-(3-iodanylpyridin-1-ium-1-yl)-4-oxidanyl-oxolan-3-olate

Systemtic Name: (2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]-4-phosphonooxy-oxolan-3-yl]oxymethyl]-2-(3-iodanylpyridin-1-ium-1-yl)-4-oxidanyl-oxolan-3-olate Openeye Name: (2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-4-phosphonooxy-tetrahydrofuran-3-yl]oxymethyl]-4-hydroxy-2-(3-iodopyridin-1-ium-1-yl)tetrahydrofuran-3-olate CAS Name: (2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-4-phosphonooxy-3-oxolanyl]oxymethyl]-4-hydroxy-2-(3-iodo-1-pyridin-1-iumyl)-3-oxolanolate IUPAC Name: (2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-4-phosphonooxyoxolan-3-yl]oxymethyl]-4-hydroxy-2-(3-iodopyridin-1-ium-1-yl)oxolan-3-olate Traditional Name: (2R,3R,4S,5R)-5-[[(2R,3R,4R,5R)-5-adenin-9-yl-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-4-phosphonooxy-tetrahydrofuran-3-yl]oxymethyl]-4-hydroxy-2-(3-iodopyridin-1-ium-1-yl)tetrahydrofuran-3-olate Formula: C20H26IN6O16P3 MolecularWeight: 826.276793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C2C(C(C(O2)COC3C(OC(C3OP(=O)(O)O)N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)O)O)[O-])I

Isomeric SMILES

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

InChI

InChI=1S/C20H26IN6O16P3/c21-9-2-1-3-26(4-9)19-14(29)13(28)10(40-19)5-38-15-11(6-39-46(36,37)43-45(33,34)35)41-20(16(15)42-44(30,31)32)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28H,5-6H2,(H,36,37)(H2,22,23,24)(H2,30,31,32)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1