(R)-[(2S,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl](Phosphonooxy)Methyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C10H17N2O15P3++
IUPAC Name [(s)-[(2s,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]-phosphonooxy-methyl] phosphono hydrogen phosphate
Molecular Mass 498.168 g·mol−1
Heat of Formation -3726.9 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 466.67 Å 3
Surface Area 366.95 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey BYJABPFCUYTWLZ-XQXXSGGOSA-N
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