4-Amino-7-β-D-Arabinofuranosyl-7H-Pyrrolo(2,3-D)Pyrimidine-5-Carboxamide

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Properties Simple | Detailed

Formula C12H16N5O5
IUPAC Name 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carboxamide
Molecular Mass 310.286 g·mol−1
Heat of Formation -724.5 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 327.86 Å 3
Surface Area 281.71 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-7-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, amide
  • 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-pyrrolo[4,5-e]pyrimidinecarboxamide
  • 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[4,5-e]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[4,5-e]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrrolo[4,5-e]pyrimidine-5-carboxamide
  • arasangivamycin
InChIKey OBZJZDHRXBKKTJ-GVYNHYCVSA-N
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