2'-Deoxy-5-[(4-Ethynylphenyl)Ethynyl]Cytidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C19H21N3O13P3+
IUPAC Name [[(2r,3s,5r)-5-[4-amino-5-[2-(4-ethynylphenyl)ethynyl]-2-oxo-pyrimidin-1-ium-3-id-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 592.304 g·mol−1
Heat of Formation -2664.8 ± 16.7 kJ·mol−1
Dipole Moment 8.57 ± 1.08 D
Volume 591.01 Å 3
Surface Area 510.82 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey CPJFKEBWOPVPDF-GVDBMIGSSA-N
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