9-(2-Deoxy-5-O-Phosphono-α-D-Threo-Pentofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H14N5O6P
IUPAC Name [(2r,3r,5s)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 331.222 g·mol−1
Heat of Formation -1140.3 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 339.97 Å 3
Surface Area 305.41 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,5s)-5-(6-amino-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,5s)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,5s)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey KHWCHTKSEGGWEX-QYNIQEEDSA-N
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