(2R,3R,4S,5R)-2-[6-(4-Hydroxyanilino)-2-Isopropyl-Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol
Properties
Property | Value |
---|---|
Formula | C19H23N5O5 |
IUPAC Name | (2r,3r,4s,5r)-2-[6-(4-hydroxyanilino)-2-isopropyl-purine-1,3,7-triium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
Molecular Mass | 401.416 g·mol−1 |
Heat of Formation | -612.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.73 ± 1.08 D |
Volume | 458.97 Å 3 |
Surface Area | 393.92 Å 2 |
HOMO Energy | -8.54 ± 0.55 eV |
LUMO Energy | 2.23 ± eV |
Point Group Symmetry | C1 |
InChIKey | UBJAFYHBLHCCRR-QEPJRFBGSA-O |
QR Code | Generate QR Code |
Links | |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |