N-{4-[6-(2,4-Diamino-6-Oxohexahydro-5-Pyrimidinyl)-1,1,1-Trifluoro-2,2-Dihydroxy-3-Hexanyl]Benzoyl}Glutamic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H30F3N5O8 |
| IUPAC Name | (2s)-2-[[4-[(1r)-4-[(2r,4s,5s)-2,4-diamino-6-oxo-hexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)butyl]benzoyl]amino]pentanedioic acid |
| Molecular Mass | 549.498 g·mol−1 |
| Heat of Formation | -2164.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.32 ± 1.08 D |
| Volume | 610.18 Å 3 |
| Surface Area | 511.75 Å 2 |
| HOMO Energy | -9.86 ± 0.55 eV |
| LUMO Energy | -0.83 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KOLDLUFBEMUZIM-SUZQFCGLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |