| Formula |
C13H20N4O3 |
| IUPAC Name |
1-(5-hydroxy-5-methyl-hexyl)-3-methyl-7,8-dihydropurine-4,5,8,9-tetraide-2,6-dione |
| Molecular Mass |
280.323 g·mol−1 |
| Heat of Formation |
-509.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.74 ± 1.08 D |
| Volume |
340.37 Å 3 |
| Surface Area |
311.33 Å 2 |
| HOMO Energy |
-9.19 ± 0.55 eV |
| LUMO Energy |
-0.65 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-(5-hydroxy-5-methyl-hexyl)-3-methyl-7h-purine-2,6-dione
- 1-(5-hydroxy-5-methyl-hexyl)-3-methyl-7h-purine-2,6-quinone
- 1-(5-hydroxy-5-methylhexyl)-3-methyl-3,7-dihydro-1h-purine-2,6-dione
- 1-(5-hydroxy-5-methylhexyl)-3-methyl-7h-purine-2,6-dione
- 1-(5-hydroxy-5-methylhexyl)-3-methylxanthine
- 1h-purine-2,6-dione, 3,7-dihydro-1-(5-hydroxy-5-methylhexyl)-3-methyl-
- a 81-3138
- hwa 138
- hwa-138
|
| CAS Number(s) |
|
| InChIKey |
NWXULHNEYYFVMF-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
|
| |
|
