5-(5-Amino-1-Pentyn-1-Yl)-2'-Deoxy-3,6-Dihydrocytidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C14H25N4O13P3
IUPAC Name [[(2r,3s,5r)-5-[6-amino-5-(5-aminopent-1-ynyl)-2-oxo-1,4-dihydropyrimidin-3-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 550.289 g·mol−1
Heat of Formation -3086.4 ± 16.7 kJ·mol−1
Dipole Moment 8.21 ± 1.08 D
Volume 554.79 Å 3
Surface Area 485.01 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
InChIKey QDKMIMUSGQEUSC-QJPTWQEYSA-N
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