{6-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-4-[(Chloroacetyl)Amino]-3,5-Dihydroxy-2-Morpholinyl}Methyl Trihydrogen Diphosphate
Properties
| Property | Value |
|---|---|
| Formula | C12H18ClN7O12P2 |
| IUPAC Name | [(2r,3r,4s,5s,6r)-6-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-[(2-chloroacetyl)amino]-3,5-dihydroxy-morpholin-2-yl]methyl phosphono hydrogen phosphate |
| Molecular Mass | 549.712 g·mol−1 |
| Heat of Formation | -270.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.73 ± 1.08 D |
| Volume | 483.47 Å 3 |
| Surface Area | 398.47 Å 2 |
| HOMO Energy | -9.95 ± 0.55 eV |
| LUMO Energy | -4.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YYPVTQLDNCGKJR-POEGSYLUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C N O Cl |