[(1R,2S,4R)-4-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-2-Hydroxycyclopentyl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H16N5O6P
IUPAC Name [(1r,2s,4r)-4-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-2-hydroxy-cyclopentyl]methyl dihydrogen phosphate
Molecular Mass 345.248 g·mol−1
Heat of Formation -1129.4 ± 16.7 kJ·mol−1
Dipole Moment 11.61 ± 1.08 D
Volume 365.0 Å 3
Surface Area 330.72 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-(3-hydroxy-4-((phosphonooxy)methyl)cyclopentyl)-, (1r-(1alpha,3beta,4alpha))-
  • [(1r,2s,4r)-4-(2-amino-6-keto-3h-purin-9-yl)-2-hydroxy-cyclopentyl]methyl dihydrogen phosphate
  • [(1r,2s,4r)-4-(2-amino-6-oxo-3h-purin-9-yl)-2-hydroxy-cyclopentyl]methyl dihydrogen phosphate
  • [(1r,2s,4r)-4-(2-amino-6-oxo-3h-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen phosphate
  • carbocyclic 2'-deoxyguanosine 5'-triphosphate
  • cdg-tp
CAS Number(s)
  • 118905-01-4
InChIKey NRSUFNBAQAVKQB-QYNIQEEDSA-N
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