(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-3-Furanyl [(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Hydrogen Phosphate

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Formula C19H24N7O12P
IUPAC Name [(2r,3s,4r,5r)-5-(2,6-dioxo-4,5-dihydropyrimidin-1-ium-4-ylium-5-id-3-yl)-3,4-dioxido-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-4-hydroxy-5-(6-λ1-azanylpurin-9-yl)-2-(oxidomethyl)tetrahydrofuran-3-yl] phosphate
Molecular Mass 573.407 g·mol−1
Heat of Formation -2103.6 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 590.8 Å 3
Surface Area 486.28 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] [(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • adenosine, uridylyl-(5'-2')-
  • adenylyl-(2'-5')-uridine
  • phosphoric acid 5-(6-amino-purin-9-yl)-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl ester 5-(2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester
  • uridylyl(5'.2')adenosine
CAS Number(s)
  • 10061-10-6
InChIKey RNNPIPQLZRGXIG-KPKSGTNCSA-N
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