[(2R,3S,4R,5R)-5-(2-Amino-4-Oxo-Pyrimidin-3-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C9H15N3O8P+ |
IUPAC Name | [(2r,3s,4r,5r)-5-(2-amino-4-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
Molecular Mass | 324.204 g·mol−1 |
Heat of Formation | -1588.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.50 ± 1.08 D |
Volume | 325.39 Å 3 |
Surface Area | 295.59 Å 2 |
HOMO Energy | -9.44 ± 0.55 eV |
LUMO Energy | -0.76 ± eV |
Point Group Symmetry | C1 |
InChIKey | UCGIFDPHEHRURH-XVFCMESISA-O |
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Elements | P C H O N |