9-[(6S)-6-C-[(2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]-5-Deoxy-6-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Ribo-Hexofuranosyl]-9H-Purin-6-Amine
Properties
Property | Value |
---|---|
Formula | C20H27N10O16P3 |
IUPAC Name | [[(1s)-1,2-bis[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethoxy]-hydroxy-phosphoryl] dihydroxyphosphoryl hydrogen phosphate |
Molecular Mass | 756.407 g·mol−1 |
Heat of Formation | -3309.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 0.90 ± 1.08 D |
Volume | 731.85 Å 3 |
Surface Area | 553.79 Å 2 |
HOMO Energy | -8.79 ± 0.55 eV |
LUMO Energy | -1.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | CNUZICGKLOTDRJ-ISLWMSOASA-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 |