6-(2-Deoxy-3-O-Phosphono-D-Erythro-Pentofuranosyl)Imidazo[1,2-C]Pyrimidin-5(6H)-One

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Properties Simple | Detailed

Formula C11H7N3O7P
IUPAC Name methylidyne-[3-[methylidyneammoniocarbonyl-[4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-5-(oxomethylene)-2h-furan-2-yl]amino]prop-1-ynyl]ammonium
Molecular Mass 324.163 g·mol−1
Heat of Formation 267.5 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 316.03 Å 3
Surface Area 302.63 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey MPYFUMYHLRYYHN-QXFUBDJGSA-N
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