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

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Properties Simple | Detailed

Formula C10H15N4O10P2
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(6-phosphonooxypurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Molecular Mass 413.194 g·mol−1
Heat of Formation -1989.4 ± 16.7 kJ·mol−1
Dipole Moment 11.26 ± 1.08 D
Volume 393.48 Å 3
Surface Area 345.66 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 0.50 ± 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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