1-Butyl-3-(3-Hydroxypropyl)-8-[(1R,3R,5S,7R)-Tricyclo[3.3.1.0~3,7~]Non-3-Yl]-3,7-Dihydro-1H-Purine-2,6-Dione
Properties
Property | Value |
---|---|
Formula | C21H30N4O3 |
IUPAC Name | 1-butyl-3-(3-hydroxypropyl)-8-[(1s,5r)-3-tricyclo[3.3.1.03,7]nonanyl]-7h-purine-2,6-dione |
Molecular Mass | 386.488 g·mol−1 |
Heat of Formation | 2853.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.61 ± 1.08 D |
Volume | 350.16 Å 3 |
Surface Area | 304.99 Å 2 |
HOMO Energy | -8.40 ± 0.55 eV |
LUMO Energy | -2.52 ± eV |
Point Group Symmetry | C1 |
InChIKey | CIBIXJYFYPFMTN-FZUGUKJMSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O N |