4-Amino-7-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carboxamide

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Properties Simple | Detailed

Formula C12H15N5O4
IUPAC Name 4-amino-7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carboxamide
Molecular Mass 293.279 g·mol−1
Heat of Formation -555.5 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 316.74 Å 3
Surface Area 274.96 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxysangivamycin
  • 4-amino-7-(2-deoxy-beta-d-erythro-pentofuranosyl)-7h-pyrrolo(2,3-d)pyrimidine-5-carboxamide
  • 4-amino-7-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid amide
  • 4-amino-7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-pyrrolo[4,5-e]pyrimidinecarboxamide
  • 4-amino-7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[4,5-e]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[4,5-e]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrrolo[4,5-e]pyrimidine-5-carboxamide
  • 7h-pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-(2-deoxy-beta-d-erythro-pentofuranosyl)-
InChIKey SSAXPGYDNCGRHY-XLPZGREQSA-N
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