{(4R,5S)-5-[(1S,2R)-1-Carboxy-2-Hydroxypropyl]-3-[(6S)-6,7-Dihydro-5H-Pyrazolo[1,2-A][1,2,4]Triazol-4-Ium-6-Ylsulfanyl]-4-Methyl-4,5-Dihydro-1H-Pyrrol-2-Yl}(Hydroxy)Methanolate
Properties
| Property | Value |
|---|---|
| Formula | C15H22N4O5S |
| IUPAC Name | (r)-[(2s,3r)-2-[(1s,2r)-1-carboxy-2-hydroxy-propyl]-4-[[(6s)-6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1h-pyrrol-5-yl]-hydroxy-methanolate |
| Molecular Mass | 370.424 g·mol−1 |
| Heat of Formation | 1084.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.19 ± 1.08 D |
| Volume | 408.55 Å 3 |
| Surface Area | 363.67 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | -2.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GJACIOMQYIQIKX-DKAFMORCSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S C O N |