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

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Properties Simple | Detailed

Formula C13H8N5O7P
IUPAC Name [2,3-dioxo-5-(10-oxo-2,6-dihydropyrimido[1,2-a]purin-4-ium-3-yl)pent-4-ynoyl]oxy-oxido-oxo-phosphonium
Molecular Mass 377.206 g·mol−1
Heat of Formation 469.9 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 355.66 Å 3
Surface Area 307.42 Å 2
HOMO Energy -10.39 ± 0.55 eV
LUMO Energy -3.41 ± eV
Point Group Symmetry C1
InChIKey KFIWNSGDRAITKG-VGMNWLOBSA-N
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