2-Amino-7-[(7R,8R,9S,10R)-7,8,9-Trihydroxy-7,8,9,10-Tetrahydrobenzo[A]Pyren-10-Yl]-3H-Purine-1,9-Diium-5-Id-6-One
Properties
| Property | Value |
|---|---|
| Formula | C25H26N5O4+ |
| IUPAC Name | (2r,4s,5s,7r)-2-amino-7-[(7r,8r,9s,10r)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]-2,3,4,5,8,9-hexahydro-1h-purin-3-ium-6-one |
| Molecular Mass | 460.505 g·mol−1 |
| Heat of Formation | -215.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.00 ± 1.08 D |
| Volume | 486.5 Å 3 |
| Surface Area | 397.2 Å 2 |
| HOMO Energy | -8.66 ± 0.55 eV |
| LUMO Energy | -1.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DSIMYIOHZHLPDV-PMOPBJJXSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |