[(2R,3S,4R,5S)-4-Azido-5-(2,4-Dioxo-5H-Pyrimidin-1-Ium-5-Id-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C9H14N5O11P2++
IUPAC Name [(2r,3s,4r,5s)-4-azido-5-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 430.182 g·mol−1
Heat of Formation -2205.5 ± 16.7 kJ·mol−1
Dipole Moment 7.77 ± 1.08 D
Volume 418.31 Å 3
Surface Area 363.4 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
InChIKey UETHAZHXDHWZCV-JBBNEOJLSA-P
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