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

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Properties Simple | Detailed

Formula C10H13N5O11P2
IUPAC Name [(2r)-2-[(1r)-1-(2-amino-6-oxo-3h-purin-9-yl)-2-oxo-ethoxy]-3-oxo-propyl] phosphono hydrogen phosphate
Molecular Mass 441.185 g·mol−1
Heat of Formation -2201.7 ± 16.7 kJ·mol−1
Dipole Moment 8.05 ± 1.08 D
Volume 428.04 Å 3
Surface Area 333.62 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3'-dialdehyde guanosine diphosphate
  • 2',3'-dialdehyde-gdp
  • [(2r)-2-[(1r)-1-(2-amino-6-keto-3h-purin-9-yl)-2-keto-ethoxy]-3-keto-propyl] phosphono hydrogen phosphate
  • [(2r)-2-[(1r)-1-(2-amino-6-oxo-3h-purin-9-yl)-2-oxo-ethoxy]-3-oxo-propyl] phosphono hydrogen phosphate
  • diphosphoric acid, mono(2-(1-(2-amino-1,6-dihydro-6-oxo-9h-purin-9-yl)-2-oxoethoxy)-3-oxopropyl) ester, (r-(r*,r*))-
CAS Number(s)
  • 62695-32-3
InChIKey JQJHUCJWAVEIRS-NTSWFWBYSA-N
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