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

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Properties Simple | Detailed

Formula C11H14N4O4
IUPAC Name (2s,3r,4s,5r)-2-(4-amino-6h-pyrrolo[3,2-d]pyrimidin-5-ium-6-ylium-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 266.253 g·mol−1
Heat of Formation -505.2 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 291.11 Å 3
Surface Area 265.79 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5r)-2-(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2s,3r,4s,5r)-2-(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2s,3r,4s,5r)-2-(4-amino-5h-pyrrolo[5,4-e]pyrimidin-7-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • 1-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-anhydropentitol
  • 77691-03-3 (free base)
  • {5h-pyrrolo[3,2-d]pyrimidine-4-amine,} 7-.beta.-d- ribofuranosyl-
InChIKey KEHFJRVBOUROMM-KBHCAIDQSA-N
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