5-Iodo-7-(α-L-Lyxofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C11H13IN4O4
IUPAC Name 2-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-ium-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 392.150 g·mol−1
Heat of Formation -428.8 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 326.92 Å 3
Surface Area 288.53 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s)-2-(4-amino-5-iodo-7-pyrrolo[2,3-d]pyrimidinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5s)-2-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylol-tetrahydrofuran-3,4-diol
InChIKey WHSIXKUPQCKWBY-TXRROPDSSA-N
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