(1Xi)-1,4-Anhydro-2-Deoxy-1-(2,6-Diamino-7H-Purin-8-Yl)-2,2-Difluoro-D-Erythro-Pentitol
Properties
Property | Value |
---|---|
Formula | C10H12F2N6O3 |
IUPAC Name | (2r,3r,5r)-5-(2,6-diaminopurin-7-ium-8-ylium-8-yl)-4,4-difluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol |
Molecular Mass | 302.237 g·mol−1 |
Heat of Formation | -654.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.43 ± 1.08 D |
Volume | 307.38 Å 3 |
Surface Area | 282.72 Å 2 |
HOMO Energy | -8.62 ± 0.55 eV |
LUMO Energy | -0.55 ± eV |
Point Group Symmetry | C1 |
InChIKey | UPHLSICWROERBL-WITFEUSKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |