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

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Properties Simple | Detailed

Formula C16H18N4O5
IUPAC Name (2r,3r,4s,5r)-2-[4-(2-furylmethylamino)pyrrolo[2,3-d]pyrimidin-7-ium-7-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 346.338 g·mol−1
Heat of Formation -520.8 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 385.32 Å 3
Surface Area 343.42 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[4-(2-furylmethylamino)-7-pyrrolo[3,2-e]pyrimidinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[4-(2-furylmethylamino)pyrrolo[3,2-e]pyrimidin-7-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[4-(2-furylmethylamino)pyrrolo[3,2-e]pyrimidin-7-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[4-(furan-2-ylmethylamino)pyrrolo[3,2-e]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • 4-furfurylamino-7-(beta-d-ribofuranosyl)pyrrolo(2,3-d)-pyrimidine
  • 7h-pyrrolo(2,3-d)pyrimidin-4-amine, n-(2-furanylmethyl)-7-beta-d-ribofuranosyl-
CAS Number(s)
  • 52017-19-3
InChIKey YLYCSUFVQKCZCW-BRXULGCHSA-N
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