2-(6-Cyano-1-Hexyn-1-Yl)Adenosine
Properties
Property | Value |
---|---|
Formula | C17H20N6O4 |
IUPAC Name | 7-[6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-9-ium-2-yl]hept-6-ynenitrile |
Molecular Mass | 372.379 g·mol−1 |
Heat of Formation | -172.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.60 ± 1.08 D |
Volume | 433.31 Å 3 |
Surface Area | 382.89 Å 2 |
HOMO Energy | -8.95 ± 0.55 eV |
LUMO Energy | 2.21 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
InChIKey | XESHLCLROHUHDE-IWCJZZDYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |