(1Xi)-1-(5-Amino-7-Oxo-2,7-Dihydropyrazolo[3,4-E][1,3]Oxazin-3-Yl)-1,4-Anhydro-D-Ribitol

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Properties Simple | Detailed

Formula C10H13N4O6+
IUPAC Name 5-amino-3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrazolo[3,4-e][1,3]oxazin-2-ium-1-id-7-one
Molecular Mass 285.233 g·mol−1
Heat of Formation -739.2 ± 16.7 kJ·mol−1
Dipole Moment 7.65 ± 1.08 D
Volume 290.1 Å 3
Surface Area 253.62 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 5-amino-3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2h-pyrazolo[3,4-e][1,3]oxazin-7-one
  • 5-amino-3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2h-pyrazolo[3,4-e][1,3]oxazin-7-one
  • 5-amino-3-[(2s,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2h-pyrazolo[3,4-e][1,3]oxazin-7-one
InChIKey LEOBQDISFVFUFQ-KUJIYDMHSA-N
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