2-Amino-4-Oxo-7-(β-D-Ribofuranosyl)-4,7-Dihydro-1H-Pyrrolo[2,3-D]Pyrimidine-5-Carboxylic Acid

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Formula C12H14N4O7
IUPAC Name 2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
Molecular Mass 326.262 g·mol−1
Heat of Formation 434.3 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 323.38 Å 3
Surface Area 300.96 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey LVTNUSALLLYISD-HUEBKHCJSA-N
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