7-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-1H-Pyrrolo[2,3-D]Pyrimidine-2,4(3H,7H)-Dione

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Formula C11H13N3O5
IUPAC Name 7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5,6-dihydro-1h-pyrrolo[2,3-d]pyrimidine-4a,5,6,7a-tetraide-2,4-dione
Molecular Mass 267.238 g·mol−1
Heat of Formation -782.4 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 288.49 Å 3
Surface Area 259.36 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1h-pyrrolo[3,2-e]pyrimidine-2,4-dione
  • 7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1h-pyrrolo[3,2-e]pyrimidine-2,4-dione
  • 7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-pyrrolo[3,2-e]pyrimidine-2,4-dione
  • 7-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1h-pyrrolo[3,2-e]pyrimidine-2,4-quinone
InChIKey NXCOIQLTGGBRJE-XLPZGREQSA-N
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