9-{5-O-[{[(4Ar,5Ar,6S,7R,8R,9S,9As,10As)-2-Butyl-4A,7-Dihydroxy-6,8-Bis(Methylamino)-4-Oxodecahydro-2H-Pyrano[2,3-B][1,4]Benzodioxin-9-Yl]Oxy}(Hydroxy)Phosphoryl]-β-D-Arabinofuranosyl}-9H-Purin-6-Amine
Properties
| Property | Value |
|---|---|
| Formula | C27H42N7O13P |
| IUPAC Name | [(2r,3s,4s,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(1s,3s,5s,8r,10r,11s,12r,13r,14s)-5-butyl-8,12-dihydroxy-11,13-bis(methylamino)-7-oxo-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-14-yl] hydrogen phosphate |
| Molecular Mass | 703.635 g·mol−1 |
| Heat of Formation | -2410.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.12 ± 1.08 D |
| Volume | 771.46 Å 3 |
| Surface Area | 559.5 Å 2 |
| HOMO Energy | -8.67 ± 0.55 eV |
| LUMO Energy | -1.02 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HKRICUCJODAHNY-SZCIQYQRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |