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

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Properties Simple | Detailed

Formula C11H14N4O4
IUPAC Name (2r,3r,4r,5r)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-ium-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 266.253 g·mol−1
Heat of Formation -507.4 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 291.69 Å 3
Surface Area 258.53 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2-(4-amino-7-pyrrolo[3,2-e]pyrimidinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4r,5r)-2-(4-aminopyrrolo[3,2-e]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4r,5r)-2-(4-aminopyrrolo[3,2-e]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4r,5r)-2-(4-aminopyrrolo[3,2-e]pyrimidin-7-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • 7-beta-d-xylofuranosyl-7h-pyrrolo(2,3-d)pyrimidin-4-amine
  • 7h-pyrrolo(2,3-d)pyrimidin-4-amine, 7-beta-d-xylofuranosyl-
  • smp2_000096
  • xylotubercidin
CAS Number(s)
  • 64526-29-0
InChIKey HDZZVAMISRMYHH-FBSDJGSXSA-N
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