4-Amino-7-(β-D-Arabinofuranosyl)-6-Hydrazino-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carboxamide

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Properties Simple | Detailed

Formula C12H17N7O5
IUPAC Name 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-hydrazino-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carboxamide
Molecular Mass 339.307 g·mol−1
Heat of Formation -598.9 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 361.42 Å 3
Surface Area 302.61 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-hydrazino-5-pyrrolo[5,4-d]pyrimidinecarboxamide
  • 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydrazinyl-pyrrolo[5,4-d]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydrazinylpyrrolo[5,4-d]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-hydrazino-pyrrolo[5,4-d]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-hydrazino-pyrrolo[5,4-d]pyrimidine-5-carboxamide
InChIKey XCAQHWQRKUEFKS-GCGRGIBYSA-N
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