2'-Deoxy-5-(1-Propyn-1-Yl)Cytidine

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Properties Simple | Detailed

Formula C12H15N3O4
IUPAC Name 4-amino-1-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-prop-1-ynyl-pyrimidin-3-ium-2-one
Molecular Mass 265.265 g·mol−1
Heat of Formation -455.7 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 302.39 Å 3
Surface Area 277.84 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey ZRFXOICDDKDRNA-IVZWLZJFSA-O
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