[[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-(3-ethanoylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [[3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-(3-ethanoylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [[5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [[5-(3-acetyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [[5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate Traditional Name: [[5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C22H28N5O15P2+ MolecularWeight: 664.429742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4NC=NC5=O)O)O)O)O

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4NC=NC5=O)O)O)O)O

InChI

InChI=1S/C22H27N5O15P2/c1-10(28)11-3-2-4-26(5-11)21-17(31)15(29)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(30)18(32)22(41-13)27-9-25-14-19(27)23-8-24-20(14)33/h2-5,8-9,12-13,15-18,21-22,29-32H,6-7H2,1H3,(H2-,23,24,33,34,35,36,37)/p+1