4-Amino-7-B-D-Ribofuranosyl-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile

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Properties Simple | Detailed

Formula C12H13N5O4
IUPAC Name 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carbonitrile
Molecular Mass 291.263 g·mol−1
Heat of Formation -375.6 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 319.21 Å 3
Surface Area 283.44 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-cyano-7-(d-ribofuranosyl)-7h-pyrrolo(2,3-d)pyrimidine
  • 4-amino-7-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-pyrrolo[5,4-d]pyrimidinecarbonitrile
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[5,4-d]pyrimidine-5-carbonitrile
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[5,4-d]pyrimidine-5-carbonitrile
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrrolo[5,4-d]pyrimidine-5-carbonitrile
  • 4-amino-7-beta-d-ribofuranosyl-7h-pyrrolo(2,3-d)pyrimidine-5-carbonitrile
  • 7h-pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-beta-d-ribofuranosyl-
  • a-399-y4
  • ahygroscopin-b
  • antibiotic a-399-y4
  • antibiotic e212
  • b 181008
  • cyanotubericidin
  • e-212
  • e-212-1
  • naritheracin
  • siromycin
  • toyocamycin nucleoside
  • unamycin-b
  • uramycin b
  • {7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile,} 4-amino-7-.beta.-d-ribofuranosyl-
InChIKey XOKJUSAYZUAMGJ-WOUKDFQISA-N
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