9-(5-O-{[(2E)-2-Buten-1-Yloxy](Hydroxy)Phosphoryl}-2-O-[Dimethyl(2-Methyl-2-Propanyl)Silyl]-β-D-Ribofuranosyl)-2-{(E)-[(Dimethylamino)Methylene]Amino}-9H-Purine
Properties
Property | Value |
---|---|
Formula | C23H39N6O7PSi |
IUPAC Name | [(e)-but-2-enyl] [(2r,3r,4r,5r)-4-[tert-butyl(dimethyl)silyl]oxy-5-[2-[(e)-dimethylaminomethyleneamino]purine-1,3,7-triium-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate |
Molecular Mass | 570.651 g·mol−1 |
Heat of Formation | -1447.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.83 ± 1.08 D |
Volume | 680.45 Å 3 |
Surface Area | 479.9 Å 2 |
HOMO Energy | -8.73 ± 0.55 eV |
LUMO Energy | -0.85 ± eV |
Point Group Symmetry | C1 |
InChIKey | XPWZMBJMSZSSNC-SQTPBEOXSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N P Si |