4-[(4-Aminobenzoyl)Amino]-1-{2,6-Dideoxy-4-O-[(1S,2R,3S,4R,5S)-4-(Dimethylamino)-2,3,5-Trihydroxycyclohexyl]-β-D-Arabino-Hexopyranosyl}-2(1H)-Pyrimidinone
Properties
| Property | Value |
|---|---|
| Formula | C25H35N5O8 |
| IUPAC Name | 4-amino-n-[1-[(2r,4r,5s,6r)-5-[(1s,2r,3s,4r,5s)-4-(dimethylamino)-2,3,5-trihydroxy-cyclohexoxy]-4-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide |
| Molecular Mass | 533.574 g·mol−1 |
| Heat of Formation | -1249.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.23 ± 1.08 D |
| Volume | 612.75 Å 3 |
| Surface Area | 510.75 Å 2 |
| HOMO Energy | -8.83 ± 0.55 eV |
| LUMO Energy | 2.67 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NJRKCURACRGUML-IIYKVCNPSA-O |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |