Adenosine 5'-(Tetrahydrogen Triphosphate) 3'-(Trihydrogen Diphosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12N5O19P5
IUPAC Name [(3r)-2-[[(5e)-4-cyano-5-cyanoimino-imidazol-1-yl]methoxy]-4-oxo-3-phosphooxy-butyl] [(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)peroxy]phosphoryl] phosphate
Molecular Mass 661.093 g·mol−1
Heat of Formation -4748.9 ± 16.7 kJ·mol−1
Dipole Moment 9.57 ± 1.08 D
Volume 604.21 Å 3
Surface Area 475.83 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • adenosine 5'-triphosphate 3'-diphosphate
  • pppapp
CAS Number(s)
  • 53951-06-7
InChIKey BEZXPSZCIDIMAS-KQYNXXCUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N