2'-Deoxy-5-(2-Pyridinylethynyl)Cytidine

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Properties Simple | Detailed

Formula C16H16N4O4
IUPAC Name 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[2-(2-pyridyl)ethynyl]pyrimidin-2-one
Molecular Mass 328.323 g·mol−1
Heat of Formation -239.9 ± 16.7 kJ·mol−1
Dipole Moment 7.99 ± 1.08 D
Volume 369.7 Å 3
Surface Area 338.77 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey KPHPURKNAIXWLZ-BFHYXJOUSA-N
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