9-(2-Deoxy-5-O-Phosphono-β-D-Erythro-Pentofuranosyl)-6-(Phosphonooxy)-9H-Purine

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Formula C10H14N4O10P2
IUPAC Name [9-[(2r,4s,5r)-5-(dihydroxyphosphoryloxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]purin-6-yl] dihydrogen phosphate
Molecular Mass 412.186 g·mol−1
Heat of Formation -277.6 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 367.18 Å 3
Surface Area 348.08 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -3.29 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-3-hydroxy-5-(6-phosphonooxy-9-purinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(6-phosphonooxypurin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey GEECATYOCBMMIR-RRKCRQDMSA-N
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