4-Amino-1-{2,5-Anhydro-4-[(Phosphonooxy)Methyl]Pentofuranosyl}-5-Methyl-2(1H)-Pyrimidinone
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | P C H O N |