3'-O-[5-(Dimethylamino)-1-Naphthoyl]Adenosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C15H12N6O11P2
IUPAC Name [1-[[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]methoxymethyl]-2-oxo-vinyl] 2-cyanocyclopropene-1-carboxylate; methyl (3-oxo-1,2,3λ5-dioxaphosphiran-3-yl) phosphate
Molecular Mass 514.237 g·mol−1
Heat of Formation -2149.4 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 649.44 Å 3
Surface Area 533.04 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (5-(dimethylamino-1-naphthoyl))adenosine diphosphate
  • 5-dimethylamino-1-naphthalenecarboxylic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-3-tetrahydrofuranyl] ester
  • 5-dimethylaminonaphthalene-1-carboxylic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] ester
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]oxolan-3-yl] 5-dimethylaminonaphthalene-1-carboxylate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] 5-dimethylaminonaphthalene-1-carboxylate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]oxolan-3-yl] 5-dimethylaminonaphthalene-1-carboxylate
  • adenosine 5'-(trihydrogen diphosphate), 3'-(5-(dimethylamino)-1-naphthalenecarboxylate)
  • dan-adp
CAS Number(s)
  • 72947-52-5
InChIKey XHKRUEHHIXWATP-WGQQHEPDSA-N
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