4'-Ethylthymidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C12H21N2O14P3++
IUPAC Name [[(2r,3s,5r)-2-ethyl-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 510.221 g·mol−1
Heat of Formation -3545.0 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 500.9 Å 3
Surface Area 397.5 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
InChIKey RICQFQMPHJAPNN-YGOYTEALSA-N
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