5'-O-[{[{[{[(4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxy-4,5-Dihydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Amino}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C20H26N11O15P3
IUPAC Name [(2r,3r)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-2,3-dihydrofuran-5-yl]methoxy-n-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]phosphonamidic acid
Molecular Mass 753.406 g·mol−1
Heat of Formation -2830.9 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 739.19 Å 3
Surface Area 623.96 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.78 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, monoanhydride with imidodiphosphoric acid, 3'-(4-((4-azido-2-nitrophenyl)amino)butanoate)
  • n-4-azido 2-nitrophenyl gamma-aminobutyryl-5-adenylyl imidodiphosphate
  • n-[[(4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-4,5-dihydrofuran-2-yl]methoxy-hydroxyphosphoryl]-[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxyphosphonamidic acid
  • n-[[(4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-4,5-dihydrofuran-2-yl]methoxy-hydroxy-phosphoryl]-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphonamidic acid
  • n-[[(4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-4,5-dihydrofuran-2-yl]methoxy-hydroxy-phosphoryl]-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphonamidic acid
  • n-[[(4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-4,5-dihydrofuran-2-yl]methoxy-hydroxyphosphoryl]-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphonamidic acid
  • nap(4)-adoppnhp
  • nap(4)-ppnhp
CAS Number(s)
  • 84625-58-1
InChIKey DBGUCIAXKSPQMW-XJBFIMGMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N