(2R)-2-[[(4R)-4-Carboxy-4-[[(4S)-4-Carboxy-4-[[4-[(1S)-4-(2,4-Diamino-6-Hydroxy-Pyrimidin-5-Yl)-1-(2,2,2-Trifluoro-1,1-Dihydroxy-Ethyl)Butyl]Benzoyl]Amino]Butanoyl]Amino]Butanoyl]Amino]Pentanedioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C32H40F3N7O14 |
| IUPAC Name | (2r)-2-[[(4r)-4-carboxy-4-[[(4s)-4-carboxy-4-[[4-[(1s)-4-(2,4-diamino-6-hydroxy-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)butyl]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid |
| Molecular Mass | 803.694 g·mol−1 |
| Heat of Formation | -3319.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.09 ± 1.08 D |
| Volume | 877.61 Å 3 |
| Surface Area | 669.28 Å 2 |
| HOMO Energy | -9.22 ± 0.55 eV |
| LUMO Energy | -0.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DJAOVLPLLJHHPY-NMLBUPMWSA-N |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |