1,2-Bis[5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Ethyl Trihydrogen Diphosphate

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Formula C18H26N6O15P2
IUPAC Name [(1r)-1,2-bis[(2s,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl] phosphono hydrogen phosphate
Molecular Mass 628.378 g·mol−1
Heat of Formation -3150.0 ± 16.7 kJ·mol−1
Dipole Moment 12.95 ± 1.08 D
Volume 625.8 Å 3
Surface Area 487.12 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey OZORAFDTIRRQFA-WIPNGQDISA-N
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