9-(2-Deoxy-5-O-Phosphono-β-D-Erythro-Pentofuranosyl)-6-Ethoxy(~3~H)-9H-Purin-2-Amine

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Properties Simple | Detailed

Formula C12H17N5O7PT
IUPAC Name [5-(6-ethoxy-2-λ1-azanyl-purin-9-ium-9-yl)-3-oxido-furan-2,3,5-triid-2-yl]methyl phosphate
Molecular Mass 377.282 g·mol−1
Heat of Formation -1335.6 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 391.73 Å 3
Surface Area 352.41 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(2-amino-6-ethoxy-8-tritio-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-ethoxy-8-tritio-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-ethoxy-8-tritio-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey WXGDGPAAUVLZNL-JFWDIUKGSA-N
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