4-Amino-1-(β-D-Arabinofuranosyl)-1,6-Dihydro-7H-Pyrrolo[2,3-D]Pyridazin-7-One

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Properties Simple | Detailed

Formula C11H2N4O5
IUPAC Name 3-[(z)-[3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-ylidene]amino]-2-ethynyl-4-oxo-but-3-enenitrile; molecular nitrogen
Molecular Mass 270.157 g·mol−1
Heat of Formation 480.2 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 294.76 Å 3
Surface Area 276.76 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-(.beta.-d-arabinofuranosyl)-pyrrolo[2,3-d]pyridazin-7-one
  • 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6h-pyrrolo[2,3-d]pyridazin-7-one
  • 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6h-pyrrolo[2,3-d]pyridazin-7-one
  • 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-6h-pyrrolo[2,3-d]pyridazin-7-one
InChIKey AGGPCPMMPFBBII-ICQCTTRCSA-N
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