3-[4-[2-[[6-Amino-9-[(2R,3R,4S,5S)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-2-Yl]Amino]Ethyl]Phenyl]Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H29N7O6 |
| IUPAC Name | 3-[4-[2-[[6-amino-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purine-1,3,7-triium-2-yl]amino]ethyl]phenyl]propanoic acid |
| Molecular Mass | 499.520 g·mol−1 |
| Heat of Formation | -858.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.37 ± 1.08 D |
| Volume | 577.98 Å 3 |
| Surface Area | 483.78 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | -0.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OZSUDLZCACKBFF-RQXXJAGISA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |