4-Amino-5-Ethynyl-1-Pentofuranosyl-2(1H)-Pyrimidinone

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Formula C11H13N3O5
IUPAC Name 4-amino-1-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-ethynyl-pyrimidin-2-one
Molecular Mass 267.238 g·mol−1
Heat of Formation -570.1 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 297.23 Å 3
Surface Area 262.86 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
InChIKey NCZFDEBKMUJQQO-BDNRQGISSA-O
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