[(2R,3R,4R,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Ium-5-Id-1-Yl)-4-Prop-2-Ynoxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C13H17N2O9P++
IUPAC Name [(2r,3r,4r,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)-4-prop-2-ynoxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 376.256 g·mol−1
Heat of Formation -1654.6 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 394.0 Å 3
Surface Area 326.23 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
InChIKey HARKMJGNXJUASR-DNRKLUKYSA-P
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