(9R)-3-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-8,9-Dihydro-7H-Pyrimido[2,1-F]Purine-1,4-Diium-9-Ol

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Properties Simple | Detailed

Formula C13H17N5O4
IUPAC Name (9r)-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8,9-dihydro-7h-pyrimido[2,1-f]purine-1,4-diium-9-ol
Molecular Mass 307.305 g·mol−1
Heat of Formation -434.4 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 338.46 Å 3
Surface Area 300.24 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
InChIKey RFLJSOVZSVBDEJ-RAFOPCFESA-P
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