[[(2R,3S,4R,5R)-5-[5-[2-(4-Azidophenyl)-2-Oxo-Ethyl]Sulfanyl-2,4-Dioxo-Pyrimidin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C17H21N5O16P3S
IUPAC Name [[(2r,3s,4r,5r)-5-[5-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-2,4-dioxo-pyrimidin-1-ium-5-ylium-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 676.359 g·mol−1
Heat of Formation -3403.1 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 644.31 Å 3
Surface Area 446.07 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
InChIKey LPWLFNHMWSDSNG-XKVFNRALSA-P
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