[(2S,3R,5R)-5-[(5S)-2,4-Dioxo-5-Propyl-Hexahydropyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C12H21N2O8P
IUPAC Name [(2s,3r,5r)-5-[(5s)-2,4-dioxo-5-propyl-hexahydropyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 352.278 g·mol−1
Heat of Formation -1863.9 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 381.39 Å 3
Surface Area 334.62 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
InChIKey GTNMTQBZWGMIIT-QCLAVDOMSA-N
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