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

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Properties Simple | Detailed

Formula C10H14N6O4
IUPAC Name (2s,3r,4s,5r)-2-(5,7-diaminopyrazolo[4,3-d]pyrimidin-2-ium-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 282.256 g·mol−1
Heat of Formation -411.0 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 301.62 Å 3
Surface Area 265.74 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5r)-2-(5,7-diamino-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2s,3r,4s,5r)-2-(5,7-diamino-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3r,4s,5r)-2-(5,7-diamino-2h-pyrazolo[5,4-e]pyrimidin-3-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • 2-aminoformycin
  • 5,7-diamino-3-(beta-ribofuranosyl)pyrazolo(4,3-d)pyrimidine
  • d-ribitol, 1,4-anhydro-1-c-(5,7-diamino-1h-pyrazolo(4,3-d)pyrimidin-3-yl)-, (s)-
CAS Number(s)
  • 97782-03-1
InChIKey WQBFKZKPIQCPJO-UOQNBVRUSA-N
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