4-Amino-8-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-5-Oxo-Pyrido[2,3-D]Pyrimidine-1,3-Diium-4A-Ide-6-Carboxamide

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Formula C13H16N5O6
IUPAC Name 4-amino-8-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-oxo-pyrido[2,3-d]pyrimidine-1,3-diium-4a-ide-6-carboxamide
Molecular Mass 338.296 g·mol−1
Heat of Formation -930.2 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 347.67 Å 3
Surface Area 296.89 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
InChIKey KDQPBCHOLOEZBK-FITJORAGSA-O
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