Formula |
C19H21N3O13P3+ |
IUPAC Name |
[[(2r,3s,5r)-5-[4-amino-5-[2-(4-ethynylphenyl)ethynyl]-2-oxo-pyrimidin-3-ium-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate |
Molecular Mass |
592.304 g·mol−1 |
Heat of Formation |
-2665.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.35 ± 1.08 D |
Volume |
592.25 Å 3 |
Surface Area |
506.52 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
-1.62 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VDXDSNPEUQJLJX-GVDBMIGSSA-O |
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Elements |
P
C
H
O
N
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