6-[(4-Nitrobenzyl)Sulfanyl]-9-(β-D-Xylofuranosyl)-9H-Purin-2-Amine
Properties
Property | Value |
---|---|
Formula | C17H18N6O6S |
IUPAC Name | (2r,3r,4r,5r)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol |
Molecular Mass | 434.426 g·mol−1 |
Heat of Formation | -393.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.40 ± 1.08 D |
Volume | 466.62 Å 3 |
Surface Area | 355.18 Å 2 |
HOMO Energy | -8.95 ± 0.55 eV |
LUMO Energy | -1.39 ± eV |
Point Group Symmetry | C1 |
InChIKey | BRSNNJIJEZWSBU-QZDOHJIMSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |