[(2R,3S,5R)-5-[4-[[4-(Aminomethyl)Phenyl]Methylamino]-2-Oxo-Pyrimidin-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C17H24N4O7P+
IUPAC Name [(2r,3s,5r)-5-[4-[[4-(aminomethyl)phenyl]methylamino]-2-oxo-1h-pyrimidin-1-ium-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 427.369 g·mol−1
Heat of Formation -1376.9 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 468.02 Å 3
Surface Area 408.48 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey ATPQGDDDWMERDD-SQWLQELKSA-N
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