6-[(4-Nitrobenzyl)Sulfanyl]-9-(β-D-Ribofuranosyl)-9H-Purin-2-Amine
Properties
Property | Value |
---|---|
Formula | C17H18N6O6S |
IUPAC Name | (2s,3s,4s,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 | -409.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.24 ± 1.08 D |
Volume | 473.89 Å 3 |
Surface Area | 380.29 Å 2 |
HOMO Energy | -8.98 ± 0.55 eV |
LUMO Energy | 1.69 ± eV |
Point Group Symmetry | C1 |
InChIKey | BRSNNJIJEZWSBU-KBNOKHGBSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
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Elements | H S C O N |