(2S,3S,4S,5R,6S)-4-{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Phosphonooxy)Phosphoryl]Oxy}-3,5,6-Trihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H4N2O18P2
IUPAC Name carbon dioxide; 3-[(z)-[(5e)-5-[2-oxido-2-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxy]-2-(2,3,5-trioxotetrahydropyran-4-yl)oxy-1,2λ5-oxaphosphiran-3-ylidene]-3,4-dioxo-tetrahydrofuran-2-ylidene]amino]prop-2-ynoyl-(oxomethylene)ammonium
Molecular Mass 562.142 g·mol−1
Heat of Formation -1990.7 ± 16.7 kJ·mol−1
Dipole Moment 9.15 ± 1.08 D
Volume 504.63 Å 3
Surface Area 427.84 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
InChIKey KTKHGQYPCCMXBN-LOTYEHSISA-N
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