N-[(2E)-3-Chloro-2-Buten-1-Yl]-9-Pentofuranosyl-9H-Purin-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C14H18ClN5O4 |
| IUPAC Name | (2r,3r,4s,5r)-2-[6-[[(z)-3-chlorobut-2-enyl]amino]purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
| Molecular Mass | 355.777 g·mol−1 |
| Heat of Formation | -452.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.36 ± 1.08 D |
| Volume | 389.6 Å 3 |
| Surface Area | 352.36 Å 2 |
| HOMO Energy | -8.68 ± 0.55 eV |
| LUMO Energy | -0.32 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OIBGKMMIUNVDRK-QTWWZSKFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |