(2R)-3-Oxo-2-[(1R)-2-Oxo-1-(6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Ethoxy]Propyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C10H12N4O8P
IUPAC Name [(2r)-3-oxo-2-[(1r)-2-oxo-1-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)ethoxy]propyl] dihydrogen phosphate
Molecular Mass 347.198 g·mol−1
Heat of Formation -1326.8 ± 16.7 kJ·mol−1
Dipole Moment 12.21 ± 1.08 D
Volume 345.06 Å 3
Surface Area 278.29 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 9h-purine-9-acetaldehyde, alpha-(1-formyl-2-(phosphonooxy)ethoxy)-1,6-dihydro-6-oxo-, (r-(r*,r*))-
  • [(2r)-3-keto-2-[(1r)-2-keto-1-(6-keto-3h-purin-9-yl)ethoxy]propyl] dihydrogen phosphate
  • [(2r)-3-oxo-2-[(1r)-2-oxo-1-(6-oxo-3h-purin-9-yl)ethoxy]propyl] dihydrogen phosphate
  • dialdehyde imp
  • imp dialdehyde
  • inosine monophosphate dialdehyde
CAS Number(s)
  • 66672-00-2
InChIKey HOYNKYUQARTFIH-NKWVEPMBSA-N
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