[(S)-(4-Azido-2-Nitro-Phenyl)-[(2S,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C15H17N6O14P2
IUPAC Name [(s)-(4-azido-2-nitro-phenyl)-[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] phosphono hydrogen phosphate
Molecular Mass 567.275 g·mol−1
Heat of Formation -2353.1 ± 16.7 kJ·mol−1
Dipole Moment 9.97 ± 1.08 D
Volume 542.94 Å 3
Surface Area 418.76 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
InChIKey MGQYUPJAYJNVJD-ZUWCUPBKSA-P
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