{(2R,3S,5R)-5-(2,6-Diamino-9H-Purin-9-Yl)-3-[(Hydroxy{[(2R,3S,5R)-3-Hydroxy-5-(5-Iodo-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methoxy}Phosphoryl)Oxy]Tetrahydro-2-Furanyl}Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C19H17IN8O13P2
IUPAC Name [(2r,3s,5r)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Molecular Mass 754.236 g·mol−1
Heat of Formation -2542.1 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 693.5 Å 3
Surface Area 576.3 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(2,6-diamino-9-purinyl)-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-diketo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • pada-5-idu
  • poly(2-aminodeoxyadenylate-5-iododeoxyuridylate)
CAS Number(s)
  • 104576-78-5
InChIKey WJUYKRRVWABHPS-LSUSWQKBSA-N
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