1-(5-O-{[(2R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3-Hydroxy-4-(Phosphonooxy)-2,5-Dihydro-2-Furanyl]Methyl}-3-O-Phosphono-β-D-Ribofuranosyl)-2(1H)-Pyrimidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C12H35N7O14P2
IUPAC Name [(2r,5r)-2-amino-5-[[(2r,3s,4r,5r)-5-[carbamoyl(methyl)amino]-4-hydroxy-3-phosphonatooxy-tetrahydrofuran-2-yl]methoxymethyl]-4-hydroxy-2,5-dihydrofuran-3-yl] phosphate; ammonia
Molecular Mass 563.392 g·mol−1
Heat of Formation -2622.5 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 629.84 Å 3
Surface Area 520.19 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-2-[[(2r,5r)-5-(6-amino-9-purinyl)-3-hydroxy-4-phosphonooxy-2,5-dihydrofuran-2-yl]methoxymethyl]-4-hydroxy-5-(2-oxo-1-pyrimidinyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-2-[[(2r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-2,5-dihydrofuran-2-yl]methoxymethyl]-4-hydroxy-5-(2-ketopyrimidin-1-yl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-2-[[(2r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-2,5-dihydrofuran-2-yl]methoxymethyl]-4-hydroxy-5-(2-oxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-2-[[(2r,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-2,5-dihydrofuran-2-yl]methoxymethyl]-4-hydroxy-5-(2-oxopyrimidin-1-yl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • adenosine, 2',3'-o-phosphinicouridylyl-(5'-3')-
  • bis(3'-5')cyclic(uridylyl-adenosine monophosphate)
  • cyclic bis((3'-5')uridylyl-adenylic acid)
  • cyclo(adenylyl(3'-5')uridine monophosphate)
  • cyclo-apup
CAS Number(s)
  • 24458-30-8
  • 20787-33-1
InChIKey RPPPEXKPVIDUDW-HUUWVHBYSA-N
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