5-Chloro-7-(β-D-Ribofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

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Properties Simple | Detailed

Formula C11H13ClN4O4
IUPAC Name (2r,3r,4s,5r)-2-(4-amino-5-chloro-pyrrolo[2,3-d]pyrimidin-7-ium-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 300.698 g·mol−1
Heat of Formation -541.1 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 315.75 Å 3
Surface Area 272.93 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(4-amino-5-chloro-7-pyrrolo[3,2-e]pyrimidinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-chloro-pyrrolo[3,2-e]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-chloro-pyrrolo[3,2-e]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-chloro-pyrrolo[3,2-e]pyrimidin-7-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(4-amino-5-chloropyrrolo[3,2-e]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • 2-(4-amino-5-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
  • 5-chlorotubercidin
  • 7h-pyrrolo(2,3-d)pyrimidin-4-amine, 5-chloro-7-beta-d-ribofuranosyl-
InChIKey WUHZZVWKGCJQHU-IOSLPCCCSA-N
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