Nbti
Properties
Property | Value |
---|---|
Formula | C17H17N5O6S |
IUPAC Name | (2r,3s,4s,5s)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]tetrahydrofuran-3,4-diol |
Molecular Mass | 419.412 g·mol−1 |
Heat of Formation | -372.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.63 ± 1.08 D |
Volume | 449.17 Å 3 |
Surface Area | 392.51 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | 1.54 ± eV |
Point Group Symmetry | C1 |
InChIKey | DYCJFJRCWPVDHY-CVGURMSBSA-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 |