(2R)-2-[(1R)-1-(6-Amino-9H-Purin-9-Yl)-2-Oxoethoxy]-3-Oxopropyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C10H13N5O10P2
IUPAC Name [(2r)-2-[(1r)-1-(6-aminopurine-1,3,7-triium-9-yl)-2-oxo-ethoxy]-3-oxo-propyl] phosphono hydrogen phosphate
Molecular Mass 425.185 g·mol−1
Heat of Formation -1996.4 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 422.1 Å 3
Surface Area 359.21 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r)-2-[(1r)-1-(6-amino-9-purinyl)-2-oxoethoxy]-3-oxopropyl] phosphono hydrogen phosphate
  • [(2r)-2-[(1r)-1-(6-aminopurin-9-yl)-2-keto-ethoxy]-3-keto-propyl] phosphono hydrogen phosphate
  • [(2r)-2-[(1r)-1-(6-aminopurin-9-yl)-2-oxo-ethoxy]-3-oxo-propyl] phosphono hydrogen phosphate
  • [(2r)-2-[(1r)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl] phosphono hydrogen phosphate
  • adenosine 5'-diphosphate 2',3'-dialdehyde
  • adp-dialdehyde
  • dial-adp
  • diphosphoric acid mono(2-(1-(6-amino-9h-purin-9-yl)-2-oxoethoxy)-3-oxopropyl)ester
  • oxo-adp
CAS Number(s)
  • 64060-84-0
InChIKey NVPIJHRHNNQNDN-NKWVEPMBSA-N
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