2-Amino-9-[(1R,6R,8R,9R,14R,16R,17R,18R)-16-(6-Amino-9H-Purin-9-Yl)-3,11,17,18-Tetrahydroxy-3,11-Dioxido-2,4,7,10,12,15-Hexaoxa-3,11-Diphosphatricyclo[12.2.1.1~6,9~]Octadec-8-Yl]-1,9-Dihydro-6H-Purin-6-One
Properties
| Property | Value |
|---|---|
| Formula | C20H24N10O13P2 |
| IUPAC Name | 2-amino-9-[16-(6-aminopurin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxo-2,4,7,10,12,15-hexaoxa-3λ5,11λ5-diphosphatricyclo[12.2.1.16,9]octadecan-8-yl]-1h-purin-6-one |
| Molecular Mass | 674.411 g·mol−1 |
| Heat of Formation | 48.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.40 ± 1.08 D |
| Volume | 614.06 Å 3 |
| Surface Area | 498.97 Å 2 |
| HOMO Energy | -9.57 ± 0.55 eV |
| LUMO Energy | -5.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BQZWXNITEWDGCM-INFSMZHSSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O N |