(1S)-1-(7-Amino-2H-Pyrazolo[4,3-D]Pyrimidin-3-Yl)-1,4-Anhydro-5-O-Phosphono-D-Ribitol

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Formula C10H14N5O7P
IUPAC Name [(2r,3s,4r,5s)-5-(7-aminopyrazolo[4,3-d]pyrimidin-1-ium-2-id-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 347.221 g·mol−1
Heat of Formation -1246.2 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 346.21 Å 3
Surface Area 308.66 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5s)-5-(7-amino-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-5-(7-amino-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5s)-5-(7-amino-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • fmp
  • formycin-5'-monophosphate
InChIKey PBAHXXBYQACZMA-KSYZLYKTSA-N
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