4-Amino-1-(2-Deoxy-5-O-Phosphonopentofuranosyl)-5-(1-Propyn-1-Yl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C12H16N3O7P
IUPAC Name [(2r,3s,5r)-5-(4-amino-2-oxo-5-prop-1-ynyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 345.245 g·mol−1
Heat of Formation -1308.7 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 361.07 Å 3
Surface Area 311.5 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey JMXAJBGSEDAXSC-IVZWLZJFSA-N
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