(1S)-1,4-Anhydro-1-(5,7-Dioxo-4,5,6,7-Tetrahydro-2H-Pyrazolo[4,3-D]Pyrimidin-3-Yl)-D-Ribitol

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Properties Simple | Detailed

Formula C10H16N4O6
IUPAC Name 3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidine-1,3,3a,7a-tetraide-5,7-dione
Molecular Mass 288.257 g·mol−1
Heat of Formation -838.2 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 297.37 Å 3
Surface Area 267.39 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazolo(4,3-d)pyrimidine-5,7(4h,6h)-dione, 3-beta-d-ribofuranosyl-
  • 3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2,4-dihydropyrazolo[3,4-e]pyrimidine-5,7-dione
  • 3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dihydropyrazolo[3,4-e]pyrimidine-5,7-dione
  • 3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dihydropyrazolo[3,4-e]pyrimidine-5,7-dione
  • 3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2,4-dihydropyrazolo[3,4-e]pyrimidine-5,7-quinone
  • oxoformycin b
CAS Number(s)
  • 19246-88-9
  • 34254-03-0
InChIKey BZRSWNNPPAAMII-UOQNBVRUSA-N
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