1-Deoxy-1-(7,8-Dimethyl-2,4-Dioxo-6-Thioxo-1,3,4,6-Tetrahydrobenzo[G]Pteridin-10(2H)-Yl)Pentitol
Properties
| Property | Value |
|---|---|
| Formula | C17H21N4O6S |
| IUPAC Name | (10s)-7,8-dimethyl-10-[(2s,3s,4s)-2,3,4,5-tetrahydroxypentyl]-6-thioxo-1h-benzo[g]pteridin-5-ium-10a-ide-2,4-dione |
| Molecular Mass | 409.437 g·mol−1 |
| Heat of Formation | -801.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.86 ± 1.08 D |
| Volume | 448.44 Å 3 |
| Surface Area | 378.04 Å 2 |
| HOMO Energy | -8.31 ± 0.55 eV |
| LUMO Energy | -1.97 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XWPMQSWESYKPEA-GBIKHYSHSA-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 |