4-Amino-1-{2,5-Anhydro-4-[(Phosphonooxy)Methyl]Pentofuranosyl}-5-Methyl-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C11H16N3O8P
IUPAC Name [(1r,4r,6r,7s)-6-(4-amino-5-methyl-2-oxo-pyrimidin-3-ium-1-yl)-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl dihydrogen phosphate
Molecular Mass 349.234 g·mol−1
Heat of Formation -1587.0 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 356.33 Å 3
Surface Area 302.53 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey RSSHBVFUGGVGMZ-YRCORFKGSA-O
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