N-{4-[(3R)-6-(2,6-Diamino-4-Oxo-1,4-Dihydro-5-Pyrimidinyl)-1,1,1-Trifluoro-2,2-Dihydroxy-3-Hexanyl]Benzoyl}-L-γ-Glutamyl-L-γ-Glutamyl-L-γ-Glutamyl-L-γ-Glutamyl-L-Glutamic Acid
Properties
| Property | Value |
|---|---|
| Formula | C42H54F3N9O20 |
| IUPAC Name | (2s)-2-[[(4s)-4-carboxy-4-[[(4s)-4-carboxy-4-[[(4s)-4-carboxy-4-[[(4s)-4-carboxy-4-[[4-[(1r)-4-(2,6-diamino-4-oxo-1h-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)butyl]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid |
| Molecular Mass | 1061.922 g·mol−1 |
| Heat of Formation | -4557.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.95 ± 1.08 D |
| Volume | 1158.48 Å 3 |
| Surface Area | 895.75 Å 2 |
| HOMO Energy | -9.09 ± 0.55 eV |
| LUMO Energy | -0.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IWEGOVKIJZGOSL-QHSXUUMZSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |