[(2S,5R)-5-{6,8-Diamino-1-[(2R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2,5-Dihydro-2-Furanyl]-1,2-Dihydro-9H-Purin-9-Yl}-4-Hydroxy-2,5-Dihydro-2-Furanyl]Methyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C15H22N6O13P2
IUPAC Name [(2s,5r)-5-[6,8-diamino-1-[(2r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2h-purin-9-yl]-4-hydroxy-2,5-dihydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 556.315 g·mol−1
Heat of Formation -2502.5 ± 16.7 kJ·mol−1
Dipole Moment 6.72 ± 1.08 D
Volume 551.96 Å 3
Surface Area 382.75 Å 2
HOMO Energy -7.86 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 8-amino-cadpr
  • 8-amino-cyclic adenosine diphosphate-ribose
  • 8-aminoadenosine cyclic 3',5'-(hydrogen phosphate) 5'-ribofuranosyl ester
  • [(2s,5r)-5-[6,8-diamino-1-[(2r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2h-purin-9-yl]-4-hydroxy-2,5-dihydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2s,5r)-5-[6,8-diamino-1-[(2r,5r)-3,4-dihydroxy-5-methylol-2,5-dihydrofuran-2-yl]-2h-purin-9-yl]-4-hydroxy-2,5-dihydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • adenoxine 5'-(trihydrogen diphosphate) 8-amino-n-alpha-d-ribofuranosyl-, intramol., p'-5''-ester
CAS Number(s)
  • 151898-25-8
InChIKey WZEWLTIOWBOCDF-XWPVMSEFSA-N
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