[(1R,2S,4S)-4-[2-Chloro-6-(Methylamino)-9H-Purin-9-Yl]-2-(Phosphonooxy)Bicyclo[3.1.0]Hex-1-Yl]Methyl Dihydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C13H18ClN5O8P2 |
| IUPAC Name | [(1r,2s,4s,5s)-4-[2-chloro-6-(methylamino)purin-9-yl]-2-dihydroxyphosphoryloxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate |
| Molecular Mass | 469.711 g·mol−1 |
| Heat of Formation | -163.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.50 ± 1.08 D |
| Volume | 423.5 Å 3 |
| Surface Area | 375.41 Å 2 |
| HOMO Energy | -9.16 ± 0.55 eV |
| LUMO Energy | -2.59 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NDCFGYFBDZLTJB-YNKXQHOBSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C N O Cl |