7-(3-{[(2S)-2-(3,5-Dihydroxyphenyl)-2-Hydroxyethyl]Amino}Propyl)-1,3-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione
Properties
| Property | Value |
|---|---|
| Formula | C18H23N5O5 |
| IUPAC Name | 7-[3-[[(2s)-2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione |
| Molecular Mass | 389.406 g·mol−1 |
| Heat of Formation | -674.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.61 ± 1.08 D |
| Volume | 458.2 Å 3 |
| Surface Area | 381.22 Å 2 |
| HOMO Energy | -9.01 ± 0.55 eV |
| LUMO Energy | -0.52 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WVLAAKXASPCBGT-CQSZACIVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |