[(2R,3S,4R,5R)-5-(4-Amino-5-Nitro-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C9H13N4O10P
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-5-nitro-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 368.194 g·mol−1
Heat of Formation -1690.8 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 350.37 Å 3
Surface Area 306.06 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey KIAKZVYQROOGGT-UAKXSSHOSA-O
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