5-Iodotubercidin

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Properties Simple | Detailed

Formula C11H14IN4O4
IUPAC Name (2r,3r,4s,5r)-2-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 393.158 g·mol−1
Heat of Formation -432.6 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 331.77 Å 3
Surface Area 289.57 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(4-amino-5-iodo-7-pyrrolo[3,2-e]pyrimidinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-iodo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-iodo-pyrrolo[3,2-e]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-iodo-pyrrolo[3,2-e]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-iodo-pyrrolo[3,2-e]pyrimidin-7-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-iodopyrrolo[3,2-e]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • 2-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
  • 5id
  • 7h-pyrrolo(2,3-d)pyrimidin-4-amine, 5-iodo-7-beta-d-ribofuranosyl-
InChIKey WHSIXKUPQCKWBY-IOSLPCCCSA-N
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