| Formula |
C21H26IN5O2 |
| IUPAC Name |
3-[2-(4-amino-3-(125i)iodanyl-phenyl)ethyl]-8-cyclopentyl-1-propyl-7h-purine-2,6-dione |
| Molecular Mass |
505.368 g·mol−1 |
| Heat of Formation |
-198.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.82 ± 1.08 D |
| Volume |
510.29 Å 3 |
| Surface Area |
369.85 Å 2 |
| HOMO Energy |
-8.40 ± 0.55 eV |
| LUMO Energy |
2.77 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1h-purine-2,6-dione, 3-(2-(4-amino-3-(iodo-125i)phenyl)ethyl)-8-cyclopentyl-3,7-dihydro-1-propyl-
- 3-(3-iodo-4-amino)phenethyl-1-propyl-8-cyclopentylxanthine
- i-bw-a844u
|
| CAS Number(s) |
|
| InChIKey |
AZWSEPNWIHTUNW-ONBQKKEBSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
I
H
C
O
N
|
| |
|
