4'-Methylthymidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C11H19N2O14P3
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-2-methyl-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 496.195 g·mol−1
Heat of Formation -3535.4 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 477.29 Å 3
Surface Area 394.19 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
InChIKey IUVOCYKHODEDJI-VAOFZXAKSA-N
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