3-(2-Deoxy-5-O-Phosphonopentofuranosyl)-4,6,7,8-Tetrahydropyrimido[1,2-A]Purin-10(3H)-One

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Formula C13H19N5O7P
IUPAC Name [(2s,3r,5s)-3-hydroxy-5-(10-oxo-4,6,7,8-tetrahydropyrimido[1,2-a]purin-1-ium-3a-id-3-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 388.293 g·mol−1
Heat of Formation -1341.7 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 400.44 Å 3
Surface Area 333.45 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
InChIKey KFIWNSGDRAITKG-DJLDLDEBSA-N
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