(2As,3R,4S,5As,7R)-7-[(R)-(2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinyl)(Hydroxy)Methyl]-3-Methyl-2,2A,3,4,5,5A,6,7-Octahydro-1H-1,8,8B-Triazaacenaphthylen-4-Yl Hydrogen Sulfate
Properties
| Property | Value |
|---|---|
| Formula | C15H21N5O7S |
| IUPAC Name | [(4s,5r,6s,8s,10r)-10-[(r)-(2,4-dioxo-1h-pyrimidin-6-yl)-hydroxy-methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate |
| Molecular Mass | 415.422 g·mol−1 |
| Heat of Formation | -1119.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.55 ± 1.08 D |
| Volume | 440.91 Å 3 |
| Surface Area | 372.32 Å 2 |
| HOMO Energy | -8.84 ± 0.55 eV |
| LUMO Energy | -0.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LHJPHMKIGRLKDR-VDPNAHCISA-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 |