(5S)-5'-O-(5-Amino-5-Deoxy-β-D-Ribofuranosyl)-5'-C-{(2S)-5-[(4-Butylphenyl)Carbamoyl]-1,4-Dimethyl-3-Oxo-2,3,4,7-Tetrahydro-1H-1,4-Diazepin-2-Yl}Uridine
Properties
| Property | Value |
|---|---|
| Formula | C32H44N6O11 |
| IUPAC Name | (1r,2s)-2-[(s)-[(2s,3r,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-n-(4-butylphenyl)-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide |
| Molecular Mass | 688.725 g·mol−1 |
| Heat of Formation | -1824.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.63 ± 1.08 D |
| Volume | 794.5 Å 3 |
| Surface Area | 605.08 Å 2 |
| HOMO Energy | -8.99 ± 0.55 eV |
| LUMO Energy | -0.56 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RQVDLVWYEOCAJE-KDHSHZOVSA-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 |