[(2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,3-D]Pyrimidin-7-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H15N4O7P
IUPAC Name [(2r,3s,4r,5r)-5-(4-aminopyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 346.233 g·mol−1
Heat of Formation -1363.4 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 353.97 Å 3
Surface Area 305.7 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 7h-pyrrolo(2,3-d)pyrimidin-4-amine, 7-(5-o-phosphono-beta-d-ribofuranosyl)-
  • 7h-pyrrolo(2,3-d)pyrimidin-4-amine, 7-(5-o-phosphono-beta-d-ribofuranosyl)-, homopolymer
  • [(2r,3s,4r,5r)-5-(4-amino-7-pyrrolo[3,2-e]pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-aminopyrrolo[3,2-e]pyrimidin-7-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-aminopyrrolo[3,2-e]pyrimidin-7-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly(7-deazaadenylic acid)
  • poly(tubercidin 5'-phosphate)
  • polydeazaadenylic acid
  • tubercidin 5'-monophosphate
  • tubercidin 5'-phosphate
  • tump
CAS Number(s)
  • 28302-62-7
  • 16719-46-3
InChIKey OBKZXEICLJXEAO-KCGFPETGSA-N
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