[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (2R,3S,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-2-[(Phosphonooxy)Methyl]Tetrahydro-3-Furanyl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C19H27N7O20P4
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 797.348 g·mol−1
Heat of Formation -4532.4 ± 16.7 kJ·mol−1
Dipole Moment 8.04 ± 1.08 D
Volume 770.73 Å 3
Surface Area 593.92 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-3-phosphonooxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(2r,3s,5r)-5-(2,4-dioxo-1-pyrimidinyl)-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,5r)-5-(2,4-diketopyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate]
  • pua
  • u-pi-a-pi
InChIKey JIAJERGOUFOENU-LNAOLWRRSA-N
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