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

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Properties Simple | Detailed

Formula C21H20N8O11P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 5-azidonaphthalene-1-carboxylate
Molecular Mass 622.378 g·mol−1
Heat of Formation -1787.2 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 634.07 Å 3
Surface Area 530.13 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.64 ± 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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