5'-O-[{[{[(Benzylamino)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C17H23N6O12P3
IUPAC Name [[[(2r,3s,4r,5r)-5-(6-amino-2,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-(methylamino)phosphinate
Molecular Mass 596.319 g·mol−1
Heat of Formation -2726.1 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 596.77 Å 3
Surface Area 454.32 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • [[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-n-(phenylmethyl)phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-(phenylmethyl)phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-(benzyl)phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-(phenylmethyl)phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-n-(phenylmethyl)phosphonamidic acid
  • adenosine 5'-(trihydrogen diphosphate), monoanhydride with (phenylmethyl)phosphoramidic acid
  • adenosine triphosphate gamma-benzylamide
  • atp gamma-benzylamide
  • gamma-benzylamide atp
  • gba-atp
CAS Number(s)
  • 58026-10-1
InChIKey XNYHAYDDAXMWOW-LSCFUAHRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N