1-Deoxy-1-(7-Methyl-2,4-Dioxo-8-Thiocyanato-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)Pentitol
Properties
| Property | Value |
|---|---|
| Formula | C17H18N5O6S++ |
| IUPAC Name | [7-methyl-2,4-dioxo-10-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-10a-ylium-1-id-8-yl] thiocyanate |
| Molecular Mass | 420.420 g·mol−1 |
| Heat of Formation | -660.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.65 ± 1.08 D |
| Volume | 455.37 Å 3 |
| Surface Area | 386.49 Å 2 |
| HOMO Energy | -9.45 ± 0.55 eV |
| LUMO Energy | -2.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MRWFADACGNTJKE-GYSYKLTISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |