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

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Properties Simple | Detailed

Formula C19H25N7O15P2
IUPAC Name [(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)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 653.387 g·mol−1
Heat of Formation -3000.9 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 638.74 Å 3
Surface Area 474.15 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-uridylic acid, adenylyl-(3'-5')-
  • [(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)-4-hydroxy-3-phosphonooxy-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)-4-hydroxy-3-phosphonooxy-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)-4-hydroxy-3-phosphonooxyoxolan-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)-4-hydroxy-3-phosphonooxy-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)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • adenylyl-(3'-5')-3'-uridylic acid
  • adenylyl-(3'-5')-uridine 3'-monophosphate
  • adenylyl-3'-5'-phospho-uridine-3'-monophosphate
  • apu
  • apup
CAS Number(s)
  • 1985-21-3
InChIKey FZCSEXOMUJFOHQ-KPKSGTNCSA-N
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