1,3-Dimethyl-8-(3-Sulfophenyl)-7H-Purin-9-Ium-5-Ide-2,6-Dione
Properties
Property | Value |
---|---|
Formula | C13H15N4O5S++ |
IUPAC Name | 1,3-dimethyl-8-(3-sulfophenyl)-7h-purin-9-ium-5-ide-2,6-dione |
Molecular Mass | 339.347 g·mol−1 |
Heat of Formation | -608.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.54 ± 1.08 D |
Volume | 345.72 Å 3 |
Surface Area | 318.47 Å 2 |
HOMO Energy | -9.18 ± 0.55 eV |
LUMO Energy | -1.74 ± eV |
Point Group Symmetry | C1 |
InChIKey | GINWFLAERRHOQF-UHFFFAOYSA-P |
QR Code | Generate QR Code |
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Elements | H S C O N |