[1-Hydroxy-4-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,6-Dioxabicyclo[3.2.0]Hept-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H15N2O9P
IUPAC Name [(1s,2r,4r,5r)-5-hydroxy-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3,7-dioxabicyclo[3.2.0]heptan-4-yl]methyl dihydrogen phosphate
Molecular Mass 350.219 g·mol−1
Heat of Formation -1785.8 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 355.15 Å 3
Surface Area 301.41 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey PZOSKPASRDLNLU-LUQPRHOASA-N
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