| Formula |
C27H29N5O5 |
| IUPAC Name |
[2-[4-(2,6-dioxo-1,3-dipropyl-purine-7,9-diium-8-yl)phenoxy]acetyl]-isopropylidene-ammonium; methane; hydrate |
| Molecular Mass |
503.550 g·mol−1 |
| Heat of Formation |
-589.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.91 ± 1.08 D |
| Volume |
592.11 Å 3 |
| Surface Area |
531.45 Å 2 |
| HOMO Energy |
-9.00 ± 0.55 eV |
| LUMO Energy |
1.91 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)phenoxy]-n-(4-ethanoylphenyl)ethanamide
- mrs 1706
- n-(4-acetylphenyl)-2-[4-(2,6-diketo-1,3-dipropyl-7h-purin-8-yl)phenoxy]acetamide
- n-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)phenoxy]acetamide
- tocris-1584
|
| InChIKey |
ZKUCFFYOQOJLGT-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
Wikipedia
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
H
C
O
N
|
| |
|
