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

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Properties Simple | Detailed

Formula C12H18N7O5
IUPAC Name 4-amino-7-[(2r,3r,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 340.315 g·mol−1
Heat of Formation -623.7 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 362.44 Å 3
Surface Area 308.94 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-hydrazino-5-pyrrolo[5,4-d]pyrimidinecarboxamide
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydrazinyl-pyrrolo[5,4-d]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydrazinylpyrrolo[5,4-d]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-hydrazino-pyrrolo[5,4-d]pyrimidine-5-carboxamide
  • 4-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6-hydrazino-pyrrolo[5,4-d]pyrimidine-5-carboxamide
  • {7h-pyrrolo[2,3-d]pyrimidine-5-carboxamide,} 4-amino-6-hydrazino-7-.beta.-d-ribofuranosyl-
InChIKey XCAQHWQRKUEFKS-OHOOMVFDSA-N
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