3'-O-(5-Azido-1-Naphthoyl)Adenosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C21H21N8O11P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 5-azidonaphthalene-1-carboxylate
Molecular Mass 623.386 g·mol−1
Heat of Formation -1838.3 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 622.99 Å 3
Surface Area 510.25 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-o-(5-azidonaphthoyl)adenosine diphosphate
  • 5-azido-1-naphthalenecarboxylic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-[(hydroxy-phosphonooxyphosphoryl)oxymethyl]-3-tetrahydrofuranyl] ester
  • 5-azidonaphthalene-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-azidonaphthalene-1-carboxylate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(hydroxy-phosphonooxy-phosphoryl)oxymethyl]tetrahydrofuran-3-yl] 5-azidonaphthalene-1-carboxylate
  • adenosine 5'-(trihydrogen diphosphate), 4-o-alpha-d-glucopyranosyl-, (2s-(1(r*(r*)),2alpha,3abeta,7abeta))-
  • ana-adp
CAS Number(s)
  • 84453-67-8
InChIKey DQORWXZFRXIRIK-WVSUBDOOSA-N
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