| Formula |
C16H18N8O4 |
| IUPAC Name |
3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-7h-purin-9-ium-5-id-1-yl)propyl]purin-9-ium-5-ide-2,6-dione |
| Molecular Mass |
386.365 g·mol−1 |
| Heat of Formation |
-375.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.69 ± 1.08 D |
| Volume |
425.92 Å 3 |
| Surface Area |
374.71 Å 2 |
| HOMO Energy |
-8.90 ± 0.55 eV |
| LUMO Energy |
-0.54 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-[3-(2,6-diketo-3-methyl-7h-purin-1-yl)propyl]-3,7-dimethyl-xanthine
- 3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-7h-purin-1-yl)propyl]purine-2,6-dione
|
| InChIKey |
PUHJHZQYIBJCSQ-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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