[(2R,3S,5R)-5-[5-[(E)-2-(3-Azidophenyl)Vinyl]-2,4-Dioxo-Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C17H19N5O8P
IUPAC Name [(2r,3s,5r)-5-[5-[(e)-2-(3-azidophenyl)vinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 452.335 g·mol−1
Heat of Formation -1263.7 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 478.95 Å 3
Surface Area 387.84 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey AZEJWBXKRJSASD-NMJJRHIFSA-P
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